bluuebunny/crossref_metadata_2025 huggingface dataset:
A Swarm Intelligence Graph-Based Pathfinding Algorithm Based on Fuzzy Logic (SIGPAF): A Case Study on Unmanned Surface Vehicle Multi-Objective Path Planning
Authors: Ntakolia Charis , Lyridis Dimitrios V.
Published: November 2021

Advances in robotic motion and computer vision have contributed to the increased use of automated and unmanned vehicles in complex and dynamic environments for various applications. Unmanned surface vehicles (USVs) have attracted a lot of attention from scientists to consolidate the wide use of USVs in maritime transportation. However, most of the traditional path planning approaches include single-objective approaches that mainly find the shortest path. Dynamic and complex environments impose the need for multi-objective path planning where an optimal path should be found to satisfy contradicting objective terms. To this end, a swarm intelligence graph-based pathfinding algorithm (SIGPA) has been proposed in the recent literature. This study aims to enhance the performance of SIGPA algorithm by integrating fuzzy logic in order to cope with the multiple objectives and generate quality solutions. A comparative evaluation is conducted among SIGPA and the two most popular fuzzy inference systems, Mamdani (SIGPAF-M) and Takagi–Sugeno–Kang (SIGPAF-TSK). The results showed that depending on the needs of the application, each methodology can contribute respectively. SIGPA remains a reliable approach for real-time applications due to low computational effort; SIGPAF-M generates better paths; and SIGPAF-TSK reaches a better trade-off among solution quality and computation time.
Oceanic Response to Tropical Cyclone Gonu (2007) in the Gulf of Oman and the Northern Arabian Sea: Estimating Depth of the Mixed Layer Using Satellite SST and Climatological Data
Authors: Koohestani Kamran , Allahdadi Mohammad Nabi , Chaichitehrani Nazanin
Published: November 2021

The category 5-equivalent tropical Cyclone Gonu (2007) was the strongest cyclone to enter the northern Arabian Sea and Gulf of Oman. The impact of this cyclone on the sea surface temperature (SST) cooling and deepening of the mixed layer was investigated herein using an optimally interpolated (OI) cloud-free sea surface temperature (SST) dataset, climatological profiles of water temperature, and data from Argo profilers. SST data showed a maximum cooling of 1.7–6.5 °C during 1–7 June 2007 over the study area, which is similar to that of slow- to medium-moving cyclones in previous studies. The oceanic heat budget equation with the assumptions of the dominant turbulent mixing effect was used to establish relationships between SST and mixed layer depth (MLD) for regions that were directly affected by cyclone-induced turbulent mixing. The relationships were applied to the SST maps from satellite to obtain maps of MLD for 1–7 June, when Gonu was over the study area. Comparing with the measured MLD from Argo data showed that this approach estimated the MLDs with an average error of 15%, which is an acceptable amount considering the convenience of this approach in estimating MLD and the simplifications applied in the heat budget equation. Some inconsistencies in calculating MLD were attributed to use of climatological temperature profiles that may not have appropriately represented the pre-cyclone conditions due to pre-existing cold/warm core eddies. Estimation of the diapycnal diffusion that quantified the turbulent mixing across the water column showed consistent temporal and spatial variations with the calculated MLDs.
Investment Decisions with Two-Factor Uncertainty
Authors: Compernolle Tine , Huisman Kuno , Kort Peter , Lavrutich Maria , Nunes Cláudia , Thijssen Jacco
Published: November 2021

This paper considers investment problems in real options with non-homogeneous two-factor uncertainty. We derive some analytical properties of the resulting optimal stopping problem and present a finite difference algorithm to approximate the firm’s value function and optimal exercise boundary. An important message in our paper is that the frequently applied quasi-analytical approach underestimates the impact of uncertainty. This is caused by the fact that the quasi-analytical solution does not satisfy the partial differential equation that governs the value function. As a result, the quasi-analytical approach may wrongly advise to invest in a substantial part of the state space.
Solvency Risk and Corporate Performance: A Case Study on European Retailers
Authors: Horobet Alexandra , Curea Stefania Cristina , Smedoiu Popoviciu Alexandra , Botoroga Cosmin-Alin , Belascu Lucian , Dumitrescu Dan Gabriel
Published: November 2021

This paper proposes a new approach toward understanding the financial performance dynamics in the EU retail sector (pre-pandemic); we focus on the connection between indebtedness and solvency risk and other areas of corporate performance (e.g., liquidity, assets efficiency, and profitability). Its contribution resides in identifying the drivers behind solvency risk in a sector that went through significant transformations in recent decades, as well as the links between the various areas of performance of retailers, and their impacts on solvency risk, using the machine-learning random forest methodology. The results indicate a declining trend for solvency risk of EU food retailers after the global financial crisis and up until the beginning of the pandemic, which may reflect their maturity on the market, but also an adjustment to legal changes in the EU, meant to equalize the tax advantages of debt versus equity financing. Solvency risk accompanied by liquidity risk is a mark of the retail sector, and our results indicate that the most critical trade that EU retailers face is between solvency risk and liquidity, but is fading over time. The volatility of liquidity levels is an important predictor of solvency risk; hence, sustaining a stable and good level of liquidity supports lower risks of financial distress, and may mitigate the shock impacts for EU retailers. A higher solvency risk was accompanied by increased efficiency of asset use, but reduced profitability levels, which led to higher returns available to shareholders for high solvency risk retailers. Overall, retailers should focus on operational performance evidenced by financial indicator levels than on the volatility of these indicators as predictors of solvency risk.
Can Sustainable Corporate Governance Enhance Internal Audit Function? Evidence from Omani Public Listed Companies
Authors: Rehman Ali
Published: November 2021

With the application of the agency theory and institutional theory, this study is intended towards the measurement of sustainable corporate governance (SCG) impact on internal audit function (IA) within Omani public listed companies. This study will also theoretically consider the Chinese investment in Oman and its potential impact on Oman’s corporate governance. For this study, SCG is an independent variable and IA is the dependent variable. This study used a descriptive cross-sectional survey design. Data is collected by an internet-based tool and analyzed via PLS-SEM and SPSS. Result suggests that SCG has a significant and direct relationship with IA. In order to attract and sustain Chinese investment and to achieve SCG, this study can assist regulators, professional bodies, and organizations in amending their codes of corporate governance and organizational policies by introducing SCG clauses into their policies and codes with emphasis on the protection of foreign investors. To the best of the knowledge of the researcher, this study is unique, as previous studies demonstrate the IA on SCG, whereas this study emphasizes that SCG can impact the control functions within organizations that also include IA.
The Effect of Ethnicity on Identification of Korean American Speech
Authors: Cheng Andrew , Cho Steve
Published: November 2021

Research on ethnic varieties of American English has found that listeners can identify speaker ethnicity from voice alone at above-chance rates. This study aims to extend this research by focusing on the perception of race and ethnicity in the voices of ethnically Korean speakers of English. Bilingual Korean Americans in California provided samples of English speech that were rated by 105 listeners. Listeners rated the speakers on their likelihood of being a certain race or ethnicity (including Asian and White). Listeners who were Korean themselves rated the speakers as more likely to be Asian and Korean, whereas non-Asian listeners rated the speakers as more likely to be White. Non-Asian listeners also demonstrated a negative correlation between rating a voice as Asian and rating a voice as belonging to a native-born American, while Asian listeners did not. Finally, a positive correlation between pitch and perceived Asianness was found for female speakers, corresponding to listeners’ metalinguistic commentary about the hallmarks and stereotypes of Asian or Asian American speech. The findings implicate the listener’s own ethnic identity and familiarity with a speech variety as an important factor in sociolinguistic perception.
Hydrogen Absorption and Desorption Behavior on Aluminum-Coated Hot-Stamped Boron Steel during Hot Press Forming and Automotive Manufacturing Processes
Authors: Kim Hye-Jin , Jung Hyun-Yeong , Jung Seung-Pill , Son Ji-Hee , Hyun Joo-Sik , Kim Ju-Sung
Published: November 2021

Our study mainly focused on diffusible hydrogen in aluminum–silicon-coated hot-stamped boron steel during a hot press forming process and in pre-treatment sequential lines of the automotive manufacturing process using a thermal desorption spectroscopy (TDS) technique. First, in the hot stamping procedure, as the soaking time increased in the heating furnace at a specific dew point when austenitizing, a high concentration of diffusible hydrogen was absorbed into the hot-stamped boron steel. Based on the TDS analysis of hydrogen absorbed from hot stamping, the activation energy value of hydrogen trapping in 1.8 GPa grade steel is lower than that of 1.5 GPa grade steel. This means that diffusible hydrogen can be more easily diffused into defective sites of the microstructure at a higher level of the tensile strength grade. Second, in sequential pre-treatment lines of the automotive manufacturing process, additional hydrogen did not flow into the surface, and an electro-deposition process, including a baking procedure, was effective in removing diffusible hydrogen, which was similar to the residual hydrogen of the as-received state (i.e., initial cold rolled blank). Based on these results, the hydrogen absorption was facilitated during hot press forming, but the hydrogen was sequentially desorbed during automotive sequential lines on aluminum-coated hot-stamped steel parts.
Evaluating the Three-Dimensional Printing Accuracy of Partial-Arch Models According to Outer Wall Thickness: An In Vitro Study
Authors: Shin Seung-Ho , Kwon Jae-Sung , Shim June-Sung , Kim Jong-Eun
Published: November 2021

The printing accuracy of three-dimensional (3D) dental models using photopolymer resin affects dental diagnostic procedures and prostheses. The accuracy of research into the outer wall thickness and printing direction data for partial-arch model printing has been insufficient. This study analyzed the effects of wall thickness and printing direction accuracy. Anterior and posterior partial-arch models were designed with different outer wall thicknesses. After 3D printing, a trueness analysis was performed. Those with full-arch models were the control group. The full-arch model had an error value of 73.60 ± 2.61 µm (mean ± standard deviation). The error values for the partial-arch models with 1-, 2-, and 3-mm thick outer walls were 54.80 ± 5.34, 47.58 ± 7.59, and 42.25 ± 9.19 μm, respectively, and that for the fully filled model was 38.20 ± 4.63 μm. The printing accuracies differed significantly between 0 degrees and 60 degrees, at 49.54 ± 8.16 and 40.66 ± 6.80 μm, respectively (F = 153.121, p < 0.001). In conclusion, the trueness of the partial-arch model was better than that of the full-arch model, and models with thick outer walls at 60 degrees were highly accurate.
Enhanced Vibration Isolation with Prestressed Resonant Auxetic Metamaterial
Authors: Pyskir Adrien , Collet Manuel , Dimitrijevic Zoran , Lamarque Claude-Henri
Published: November 2021

Metamaterials designate structures with properties exceeding bulk materials. Since the end of the 1990s, they have attracted ever-growing attention in many research fields such as electromagnetics, acoustics, and elastodynamics. This paper presents a numerical and experimental study on a locally resonant auxetic metamaterial for vibration isolation. The designed materials combine different mechanisms—such as buckling, local resonances, and auxetism—to generate enhanced isolation properties. This type of structure could help to improve the isolation for machines, transportation, and buildings. First, the static properties of the reference and resonant structures are compared. Dispersion curves are then analysed to describe their periodic dynamic behaviour. An experimental validation carried out on a specially designed test bench is then presented and compared to corresponding finite structure simulation. As a result, huge bandgaps are found for the resonant case and strong isolation properties are also confirmed by the experimental data.
Antibacterial Efficacy of Cold-Sprayed Copper Coatings against Gram-Positive Staphylococcus aureus and Gram-Negative Escherichia coli
Authors: Hutasoit Novana , Topa Sanjida Halim , Javed Muhammad Awais , Rahman Rashid Rizwan Abdul , Palombo Enzo , Palanisamy Suresh
Published: November 2021

Contact surfaces have been identified as one of the main routes for pathogen transmission. The efficacy to kill both viruses and bacteria on touch surfaces is critical to reducing the rampant spread of harmful pathogens. Copper is one such material that has been traditionally used for its antimicrobial properties. However, most contact/touch surfaces are made up of steel or aluminum due to their structural properties. Therefore, coating high-touch components with copper is one possible solution to improve antibacterial efficacy. In this study, copper was coated on both stainless steel and aluminum substrates using a cold spray process which is a fast and economic coating technique. The coated samples in both as-deposited and heat-treated states were exposed to Escherichia coli and Staphylococcus aureus bacteria, and their efficacy was compared with bulk copper plate. It was found that both bacterial cells responded differently to the different coating properties such as coating thickness, porosity, hardness, surface roughness, oxide content, and galvanic coupling effect. These correlations were elucidated in light of various results obtained from antibacterial and bacterial attachment tests, and materials characterizations of the coatings. It is possible to tailor copper coating characteristics to render them more effective against targeted bacteria.
Research on the Electromagnetic Conversion Method of Stator Current for Local Fault Detection of a Planetary Gearbox
Authors: Xu Xiangyang , Liu Guanrui , Liang Xihui
Published: November 2021

Motor current signature analysis (MCSA) is a useful technique for planetary gear fault detection. Motor current signals have easier accessibility and are free from time-varying transfer path effects. If the fault symptoms in current signals are well understood, it will be more beneficial to develop effective current signal processing methods. Some researchers have developed mathematical models to study the characteristics of current signals. However, no one has considered the coupling of rotor eccentricity and gear failures, resulting in an inaccurate analysis of the current signals. This study considers the sun gear failure of a planetary gearbox and the eccentricity of the motor rotor. An improved induction motor model is proposed based on the magnetomotive force (MMF) to simulate the stator current. By analyzing the current, the modulation relationships of gearbox meshing frequency, fault frequency, power supply frequency, and gear rotating frequency are obtained. The proposed model is validated to some extent using experimental data.
Comparison of the Average Kappa Coefficients of Two Binary Diagnostic Tests with Missing Data
Authors: Roldán-Nofuentes José Antonio , Regad Saad Bouh
Published: November 2021

The average kappa coefficient of a binary diagnostic test is a parameter that measures the average beyond-chance agreement between the diagnostic test and the gold standard. This parameter depends on the accuracy of the diagnostic test and also on the disease prevalence. This article studies the comparison of the average kappa coefficients of two binary diagnostic tests when the gold standard is not applied to all individuals in a random sample. In this situation, known as partial disease verification, the disease status of some individuals is a missing piece of data. Assuming that the missing data mechanism is missing at random, the comparison of the average kappa coefficients is solved by applying two computational methods: the EM algorithm and the SEM algorithm. With the EM algorithm the parameters are estimated and with the SEM algorithm their variances-covariances are estimated. Simulation experiments have been carried out to study the sizes and powers of the hypothesis tests studied, obtaining that the proposed method has good asymptotic behavior. A function has been written in R to solve the proposed problem, and the results obtained have been applied to the diagnosis of Alzheimer's disease.
Study of a Modified Kumaraswamy Distribution
Authors: Bantan Rashad A. R. , Chesneau Christophe , Jamal Farrukh , Elgarhy Mohammed , Almutiry Waleed , Alahmadi Amani Abdullah
Published: November 2021

In this article, a structural modification of the Kumaraswamy distribution yields a new two-parameter distribution defined on (0,1), called the modified Kumaraswamy distribution. It has the advantages of being (i) original in its definition, mixing logarithmic, power and ratio functions, (ii) flexible from the modeling viewpoint, with rare functional capabilities for a bounded distribution—in particular, N-shapes are observed for both the probability density and hazard rate functions—and (iii) a solid alternative to its parental Kumaraswamy distribution in the first-order stochastic sense. Some statistical features, such as the moments and quantile function, are represented in closed form. The Lambert function and incomplete beta function are involved in this regard. The distributions of order statistics are also explored. Then, emphasis is put on the practice of the modified Kumaraswamy model in the context of data fitting. The well-known maximum likelihood approach is used to estimate the parameters, and a simulation study is conducted to examine the performance of this approach. In order to demonstrate the applicability of the suggested model, two real data sets are considered. As a notable result, for the considered data sets, statistical benchmarks indicate that the new modeling strategy outperforms the Kumaraswamy model. The transmuted Kumaraswamy, beta, unit Rayleigh, Topp–Leone and power models are also outperformed.
Heptapeptide Isolated from Isochrysis zhanjiangensis Exhibited Anti-Photoaging Potential via MAPK/AP-1/MMP Pathway and Anti-Apoptosis in UVB-Irradiated HaCaT Cells
Authors: Zheng Zhaowan , Xiao Zhenbang , He Yuan-Lin , Tang Yanfei , Li Lefan , Zhou Chunxia , Hong Pengzhi , Luo Hui , Qian Zhong-Ji
Published: November 2021

Marine microalgae can be used as sustainable protein sources in many fields with positive effects on human and animal health. DAPTMGY is a heptapeptide isolated from Isochrysis zhanjiangensis which is a microalga. In this study, we evaluated its anti-photoaging properties and mechanism of action in human immortalized keratinocytes cells (HaCaT). The results showed that DAPTMGY scavenged reactive oxygen species (ROS) and increase the level of endogenous antioxidants. In addition, through the exploration of its mechanism, it was determined that DAPIMGY exerted anti-photoaging effects. Specifically, the heptapeptide inhibits UVB-induced apoptosis through down-regulation of p53, caspase-8, caspase-3 and Bax and up-regulation of Bcl-2. Thus, DAPTMGY, isolated from I. zhanjiangensis, exhibits protective effects against UVB-induced damage.
Effect of Spinal Alignment Changes on Lower Back Pain in Patients Treated with Total Hip Arthroplasty for Hip Osteoarthritis
Authors: Saiki Fumiko , Tanaka Takeyuki , Tachibana Naohiro , Oshima Hirofumi , Kaneko Taizo , Horii Chiaki , Nakamoto Hideki , Kato So , Doi Toru , Matsubayashi Yoshitaka , Taniguchi Yuki , Tanaka Sakae , Oshima Yasushi
Published: November 2021

Background and objectives: The influence of changes in spinal alignment after total hip arthroplasty (THA) on improvement in lower back pain (LBP) remains controversial. To evaluate how changes in spinal malalignment correlate with improvement in preoperative LBP in patients who underwent THA for hip osteoarthritis. Materials and Methods: From November 2015 to January 2017, 104 consecutive patients who underwent unilateral THA were prospectively registered. Whole spine X-rays and patient-reported outcomes (PROs) were obtained preoperatively and 12 months postoperatively. The PROs used were the Numerical Rating Scale (NRS) for back pain, EuroQol 5 Dimension, and Short Form-12. Results: Seventy-four (71%) patients with complete data were eligible for the analysis. The sagittal parameters changed slightly but significantly. Coronal alignment significantly improved. Twenty-six (37%) patients had LBP preoperatively. These patients had smaller lumbar lordosis (LL), larger PT, and larger PI minus LL than the patients without LBP. Fourteen (54%) of the 26 patients with preoperative LBP showed pain improvement, but there were no significant differences in the radiographic parameters. Conclusions: Although preoperative LBP was likely to be resolved after THA, there were no significant correlations between alignment changes and LBP improvement. The cause of LBP in patients with hip osteoarthritis (OA) patients might be multifactorial.
Attitude Estimation Algorithm of Portable Mobile Robot Based on Complementary Filter
Authors: Liu Mei , Cai Yuanli , Zhang Lihao , Wang Yiqun
Published: November 2021

In robot inertial navigation systems, to deal with the problems of drift and noise in the gyroscope and accelerometer and the high computational cost when using extended Kalman filter (EKF) and particle filter (PF), a complementary filtering algorithm is utilized. By combining the Inertial Measurement Unit (IMU) multi-sensor signals, the attitude data are corrected, and the high-precision attitude angles are obtained. In this paper, the quaternion algorithm is used to describe the attitude motion, and the process of attitude estimation is analyzed in detail. Moreover, the models of the sensor and system are given. Ultimately, the attitude angles are estimated by using the quaternion extended Kalman filter, linear complementary filter, and Mahony complementary filter, respectively. The experimental results show that the Mahony complementary filtering algorithm has less computational cost than the extended Kalman filtering algorithm, while the attitude estimation accuracy of these two algorithms is similar, which reveals that Mahony complementary filtering is more suitable for low-cost embedded systems.
A Miniature Optical Force Dual-Axis Accelerometer Based on Laser Diodes and Small Particles Cavities
Authors: Pu Junji , Zeng Kai , Wu Yulie , Xiao Dingbang
Published: November 2021

In recent years, the optical accelerometer based on the optical trapping force effect has gradually attracted the attention of researchers for its high sensitivity and high measurement accuracy. However, due to its large size and the complexity of optical path adjustment, the optical force accelerometers reported are only suitable for the laboratory environment up to now. In this paper, a miniature optical force dual-axis accelerometer based on the miniature optical system and a particles cavity which is prepared by Micro-Electro-Mechanical Systems (MEMS) technology is proposed. The overall system of the miniature optical levitation including the miniature optical system and MEMS particles cavity is a cylindrical structure with a diameter of about 10 mm and a height of 33 mm (Φ 10 mm × 33 mm). Moreover, the size of this accelerometer is 200 mm × 100 mm × 100 mm. Due to the selected light source being a laser diode light source with elliptical distribution, it is sensitive to the external acceleration in both the long axis and the short axis. This accelerometer achieves a measurement range of ±0.17 g–±0.26 g and measurement resolution of 0.49 mg and 1.88 mg. The result shows that the short-term zero-bias stability of the two orthogonal axes of the optical force accelerometer is 4.4 mg and 9.2 mg, respectively. The main conclusion that can be drawn is that this optical force accelerometer could provide an effective solution for measuring acceleration with an optical force effect for compact engineering devices.
Insights into the Oral Bacterial Microbiota of Sows
Authors: Hattab Jasmine , Marruchella Giuseppe , Pallavicini Alberto , Gionechetti Fabrizia , Mosca Francesco , Trachtman Abigail Rose , Lanci Laura , Gabrielli Luigino , Tiscar Pietro Giorgio
Published: November 2021

The investigation of bacterial microbiota represents a developing research field in veterinary medicine intended to look for correlations between animal health and the balance within bacterial populations. The aim of the present work was to define the bacterial microbiota of the oral cavity of healthy sows, which had not been thoroughly described so far. In total, 22 samples of oral fluid were collected and analyzed by 16S-rRNA gene sequencing. CLC Genomics Workbench 20.0 (QIAGEN Digital Insights, Aarhus, Denmark) was then used to examine the results. The predominant orders were Lactobacillales, Clostridiales, and Corynebacteriales. Lactobacillaceae, Corynebacteriaceae, Moraxellaceae, Aerococcaceae, and Staphylococcaceae were the most represented families. As regards the most abundant genera, Lactobacillus, Corynebacterium, Acinetobacter, Staphylococcus, Rothia, Aerococcus, and Clostridium can be pointed out as the bacterial core microbiota. Sows were also divided into “gestating” and “lactating” groups, and mild differences were found between pregnant and lactating sows. The data herein described represent an original contribution to the knowledge of the porcine bacterial microbiota. Moreover, the choice of sows as experimental animals was strategic for identifying the adult microbial community. These data provide a basis for further studies on the oral bacterial microbiota of pigs.
Assessment of Temporal Effects of a Mud Volcanic Eruption on the Bacterial Community and Their Predicted Metabolic Functions in the Mud Volcanic Sites of Niaosong, Southern Taiwan
Authors: Hsu Ho-Chuan , Chen Jung-Sheng , Nagarajan Viji , Hussain Bashir , Huang Shih-Wei , Rathod Jagat , Hsu Bing-Mu
Published: November 2021

The microbial communities inhabiting mud volcanoes have received more attention due to their noteworthy impact on the global methane cycle. However, the impact of temporal effects of volcanic eruptions on the microbial community’s diversity and functions remain poorly characterized. This study aimed to underpin the temporal variations in the bacterial community’s diversity and PICRUSt-predicted functional profile changes of mud volcanic sites located in southern Taiwan using 16S rRNA gene sequencing. The physicochemical analysis showed that the samples were slightly alkaline and had elevated levels of Na+, Cl−, and SO42−. Comparatively, the major and trace element contents were distinctly higher, and tended to be increased in the long-period samples. Alpha diversity metrics revealed that the bacterial diversity and abundance were lesser in the initial period, but increased over time. Instead, day 96 and 418 samples showed reduced bacterial abundance, which may have been due to the dry spell that occurred before each sampling. The initial-period samples were significantly abundant in haloalkaliphilic marine-inhabiting, hydrocarbon-degrading bacterial genera such as Marinobacter, Halomonas, Marinobacterium, and Oceanimonas. Sulfur-reducing bacteria such as Desulfurispirillum and Desulfofarcimen were found dominant in the mid-period samples, whereas the methanogenic archaeon Methanosarcina was abundant in the long-period samples. Unfortunately, heavy precipitation encountered during the mid and long periods may have polluted the volcanic site with animal pathogens such as Desulfofarcimen and Erysipelothrix. The functional prediction results showed that lipid biosynthesis and ubiquinol pathways were significantly abundant in the initial days, and the super pathway of glucose and xylose degradation was rich in the long-period samples. The findings of this study highlighted that the temporal effects of a mud volcanic eruption highly influenced the bacterial diversity, abundance, and functional profiles in our study site.
YgfY Contributes to Stress Tolerance in Shewanella oneidensis Neither as an Antitoxin Nor as a Flavinylation Factor of Succinate Dehydrogenase
Authors: Zhang Ming-Xing , Zheng Kai-Li , Tang Ai-Guo , Hu Xiao-Xia , Guo Xin-Xin , Wu Chao , Cheng Yuan-Yuan
Published: November 2021

YgfY(SdhE/CptB) is highly conserved while has controversial functions in bacteria. It works as an antitoxin and composes a type IV toxin–antitoxin system with YgfX(CptA) typically in Escherichia coli, while functions as an flavinylation factor of succinate dehydrogenase and fumarate reductase typically in Serratia sp. In this study, we report the contribution of YgfY in Shewanella oneidensis MR-1 to tolerance of low temperature and nitrite. YgfY deficiency causes several growth defects of S. oneidensis MR-1 at low temperature, while YgfX do not cause a growth defect or morphological change of S. oneidensis MR1-1 and E. coli. YgfY do not interact with FtsZ and MreB nor with YgfX examined by bacterial two-hybrid assay. YgfY effect on growth under low temperature is not attributed to succinate dehydrogenase (SDH) because a mutant without SDH grows comparably with the wild-type strain in the presence of succinate. The ygfY mutant shows impaired tolerance to nitrite. Transcription of nitrite reductase and most ribosome proteins is significantly decreased in the ygfY mutant, which is consistent with the phenotypes detected above. Effects of YgfY on growth and nitrite tolerance are closely related to the RGXXE motif in YgfY. In summary, this study demonstrates pleiotropic impacts of YgfY in S. oneidensis MR-1, and sheds a light on the physiological versatility of YgfY in bacteria.
Cell Culture Characterization of Prooxidative Chain-Transfer Agents as Novel Cytostatic Drugs
Authors: Heymans Victoria , Kunath Sascha , Hajieva Parvana , Moosmann Bernd
Published: November 2021

Prooxidative therapy is a well-established concept in infectiology and parasitology, in which prooxidative drugs like artemisinin and metronidazole play a pivotal clinical role. Theoretical considerations and earlier studies have indicated that prooxidative therapy might also represent a promising strategy in oncology. Here, we have investigated a novel class of prooxidative drugs, namely chain-transfer agents, as cytostatic agents in a series of human tumor cell lines in vitro. We have found that different chain-transfer agents of the lipophilic thiol class (like dodecane-1-thiol) elicited half-maximal effective concentrations in the low micromolar range in SY5Y cells (human neuroblastoma), Hela cells (human cervical carcinoma), HEK293 cells (immortalized human kidney), MCF7 cells (human breast carcinoma), and C2C12 cells (mouse myoblast). In contrast, HepG2 cells (human hepatocellular carcinoma) were resistant to toxicity, presumably through their high detoxification capacity for thiol groups. Cytotoxicity was undiminished by hypoxic culture conditions, but substantially lowered after cellular differentiation. Compared to four disparate, clinically used reference compounds in vitro (doxorubicin, actinomycin D, 5-fluorouracil, and hydroxyurea), chain-transfer agents emerged as comparably potent on a molar basis and on a maximum-effect basis. Our results indicate that chain-transfer agents possess a promising baseline profile as cytostatic drugs and should be explored further for anti-tumor chemotherapy.
Attenuative Effects of Fluoxetine and Triticum aestivum against Aluminum-Induced Alzheimer’s Disease in Rats: The Possible Consequences on Hepatotoxicity and Nephrotoxicity
Authors: Abu-Elfotuh Karema , Ragab Ghada M. , Salahuddin Ahmad , Jamil Lubna , Abd Al Haleem Ekram Nemr
Published: November 2021

Background: Alzheimer’s disease (AD) is a chronic neurological illness that causes considerable cognitive impairment. Hepatic and renal dysfunction may worsen AD by disrupting β-amyloid homeostasis at the periphery and by causing metabolic dysfunction. Wheatgrass (Triticum aestivum) has been shown to have antioxidant and anti-inflammatory properties. This work aims to study the effect of aluminum on neuronal cells, its consequences on the liver and kidneys, and the possible role of fluoxetine and wheatgrass juice in attenuating these pathological conditions. Method: Rats were divided into five groups. Control, AD (AlCl3), Fluoxetine (Fluoxetine and AlCl3), Wheatgrass (Wheatgrass and AlCl3), and combination group (fluoxetine, wheatgrass, and AlCl3). All groups were assigned daily to different treatments for five weeks. Conclusions: AlCl3 elevated liver and kidney enzymes, over-production of oxidative stress, and inflammatory markers. Besides, accumulation of tau protein and Aβ, the elevation of ACHE and GSK-3β, down-regulation of BDNF, and β–catenin expression in the brain. Histopathological examinations of the liver, kidney, and brain confirmed this toxicity, while treating AD groups with fluoxetine, wheatgrass, or a combination alleviates toxic insults. Conclusion: Fluoxetine and wheatgrass combination demonstrated a more significant neuroprotective impact in treating AD than fluoxetine alone and has protective effects on liver and kidney tissues.
3-Phenylcoumarins as a Privileged Scaffold in Medicinal Chemistry: The Landmarks of the Past Decade
Authors: Matos Maria J. , Uriarte Eugenio , Santana Lourdes
Published: November 2021

3-Phenylcoumarins are a family of heterocyclic molecules that are widely used in both organic and medicinal chemistry. In this overview, research on this scaffold, since 2010, is included and discussed, focusing on aspects related to its natural origin, synthetic procedures and pharmacological applications. This review paper is based on the most relevant literature related to the role of 3-phenylcoumarins in the design of new drug candidates. The references presented in this review have been collected from multiple electronic databases, including SciFinder, Pubmed and Mendeley.
Artificial Intelligence for Autonomous Molecular Design: A Perspective
Authors: Joshi Rajendra P. , Kumar Neeraj
Published: November 2021

Domain-aware artificial intelligence has been increasingly adopted in recent years to expedite molecular design in various applications, including drug design and discovery. Recent advances in areas such as physics-informed machine learning and reasoning, software engineering, high-end hardware development, and computing infrastructures are providing opportunities to build scalable and explainable AI molecular discovery systems. This could improve a design hypothesis through feedback analysis, data integration that can provide a basis for the introduction of end-to-end automation for compound discovery and optimization, and enable more intelligent searches of chemical space. Several state-of-the-art ML architectures are predominantly and independently used for predicting the properties of small molecules, their high throughput synthesis, and screening, iteratively identifying and optimizing lead therapeutic candidates. However, such deep learning and ML approaches also raise considerable conceptual, technical, scalability, and end-to-end error quantification challenges, as well as skepticism about the current AI hype to build automated tools. To this end, synergistically and intelligently using these individual components along with robust quantum physics-based molecular representation and data generation tools in a closed-loop holds enormous promise for accelerated therapeutic design to critically analyze the opportunities and challenges for their more widespread application. This article aims to identify the most recent technology and breakthrough achieved by each of the components and discusses how such autonomous AI and ML workflows can be integrated to radically accelerate the protein target or disease model-based probe design that can be iteratively validated experimentally. Taken together, this could significantly reduce the timeline for end-to-end therapeutic discovery and optimization upon the arrival of any novel zoonotic transmission event. Our article serves as a guide for medicinal, computational chemistry and biology, analytical chemistry, and the ML community to practice autonomous molecular design in precision medicine and drug discovery.
Effects of Alcell Lignin Methylolation and Lignin Adding Stage on Lignin-Based Phenolic Adhesives
Authors: Ai Xianbin , Feng Shanghuan , Shui Tao , Kakkar Himant , Xu Chunbao Charles
Published: November 2021

To investigate the effects of lignin methylolation and lignin adding stage on the resulted lignin-based phenolic adhesives, Alcell lignin activated with NaOH (AL) or methylolation (ML) was integrated into the phenolic adhesives system by replacing phenol at various adhesive synthesis stages or directly co-polymerizing with phenolic adhesives. Lignin integration into phenolic adhesives greatly increased the viscosity of the resultant adhesives, regardless of lignin methylolation or adding stage. ML introduction at the second stage of adhesive synthesis led to much bigger viscosity than ML or AL introduction into phenolic adhesives at any other stages. Lignin methylolation and lignin adding stage did not affect the thermal stability of lignin based phenolic adhesives, even though lignin-based adhesives were less thermally stable than NPF. Typical three-stage degradation characteristics were also observed on all the lignin-based phenolic adhesives. Three-ply plywoods can be successfully laminated with lignin based adhesives, and it was interesting that after 3 h of cooking in boiling water, the plywoods specimens bonded with lignin-based phenolic adhesives displayed higher bonding strength than the corresponding dry strength obtained after direct conditioning at 20 °C and 65% RH. Compared with NPF, lignin introduction significantly reduced the bonding strength of lignin based phenolic adhesives when applied for plywood lamination. However, no significant variation of bonding strength was detected among the lignin based phenolic adhesives, regardless of lignin methylolation or adding stages.
1H HR-MAS NMR Based Metabolic Profiling of Lung Cancer Cells with Induced and De-Induced Cisplatin Resistance to Reveal Metabolic Resistance Adaptations
Authors: Vermathen Martina , von Tengg-Kobligk Hendrik , Hungerbühler Martin Nils , Vermathen Peter , Ruprecht Nico
Published: November 2021

Cisplatin (cisPt) is an important drug that is used against various cancers, including advanced lung cancer. However, drug resistance is still a major ongoing problem and its investigation is of paramount interest. Here, a high-resolution magic angle spinning (HR-MAS) NMR study is presented deciphering the metabolic profile of non-small cell lung cancer (NSCLC) cells and metabolic adaptations at different levels of induced cisPt-resistance, as well as in their de-induced counterparts (cells cultivated in absence of cisPt). In total, fifty-three metabolites were identified and quantified in the 1H-HR-MAS NMR cell spectra. Metabolic adaptations to cisPt-resistance were detected, which correlated with the degree of resistance. Importantly, de-induced cell lines demonstrated similar metabolic adaptations as the corresponding cisPt-resistant cell lines. Metabolites predominantly changed in cisPt resistant cells and their de-induced counterparts include glutathione and taurine. Characteristic metabolic patterns for cisPt resistance may become relevant as biomarkers in cancer medicine.
A Combined Experimental/Quantum-Chemical Study of Tetrel, Pnictogen, and Chalcogen Bonds of Linear Triatomic Molecules
Authors: De Vleeschouwer Freija , De Proft Frank , Ergün Özge , Herrebout Wouter , Geerlings Paul
Published: November 2021

Linear triatomic molecules (CO2, N2O, and OCS) are scrutinized for their propensity to form perpendicular tetrel (CO2 and OCS) or pnictogen (N2O) bonds with Lewis bases (dimethyl ether and trimethyl amine) as compared with their tendency to form end-on chalcogen bonds. Comparison of the IR spectra of the complexes with the corresponding monomers in cryogenic solutions in liquid argon enables to determine the stoichiometry and the nature of the complexes. In the present cases, perpendicular tetrel and pnictogen 1:1 complexes are identified mainly on the basis of the lifting of the degenerate ν 2 bending mode with the appearance of both a blue and a red shift. Van ′t Hoff plots of equilibrium constants as a function of temperature lead to complexation enthalpies that, when converted to complexation energies, form the first series of experimental complexation energies on sp1 tetrel bonds in the literature, directly comparable to quantum-chemically obtained values. Their order of magnitude corresponds with what can be expected on the basis of experimental work on halogen and chalcogen bonds and previous computational work on tetrel bonds. Both the order of magnitude and sequence are in fair agreement with both CCSD(T) and DFA calculations, certainly when taking into account the small differences in complexation energies of the different complexes (often not more than a few kJ mol−1) and the experimental error. It should, however, be noted that the OCS chalcogen complexes are not identified experimentally, most probably owing to entropic effects. For a given Lewis base, the stability sequence of the complexes is first successfully interpreted via a classical electrostatic quadrupole–dipole moment model, highlighting the importance of the magnitude and sign of the quadrupole moment of the Lewis acid. This approach is validated by a subsequent analysis of the molecular electrostatic potential, scrutinizing the σ and π holes, as well as the evolution in preference for chalcogen versus tetrel bonds when passing to “higher” chalcogens in agreement with the evolution of the quadrupole moment. The energy decomposition analysis gives further support to the importance/dominance of electrostatic effects, as it turns out to be the largest attractive term in all cases considered, followed by the orbital interaction and the dispersion term. The natural orbitals for chemical valence highlight the sequence of charge transfer in the orbital interaction term, which is dominated by an electron-donating effect of the N or O lone-pair(s) of the base to the central atom of the triatomics, with its value being lower than in the case of comparable halogen bonding situations. The effect is appreciably larger for TMA, in line with its much higher basicity than DME, explaining the comparable complexation energies for DME and TMA despite the much larger dipole moment for DME.
1H-NMR Metabolomics as a Tool for Winemaking Monitoring
Authors: Le Mao Inès , Martin-Pernier Jean , Bautista Charlyne , Lacampagne Soizic , Richard Tristan , Da Costa Gregory
Published: November 2021

The chemical composition of wine is known to be influenced by multiple factors including some viticulture practices and winemaking processes. 1H-NMR metabolomics has been successfully applied to the study of wine authenticity. In the present study, 1H-NMR metabolomics in combination with multivariate analysis was applied to investigate the effects of grape maturity and enzyme and fining treatments on Cabernet Sauvignon wines. A total of forty wine metabolites were quantified. Three different stages of maturity were studied (under-maturity, maturity and over-maturity). Enzyme treatments were carried out using two pectolytic enzymes (E1 and E2). Finally, two proteinaceous fining treatments were compared (vegetable protein, fining F1; pea protein and PVPP, fining F2). The results show a clear difference between the three stages of maturity, with an impact on different classes of metabolites including amino acids, organic acids, sugars, phenolic compounds, alcohols and esters. A clear separation between enzymes E1 and E2 was observed. Both fining agents had a significant effect on metabolite concentrations. The results demonstrate that 1H-NMR metabolomics provides a fast and robust approach to study the effect of winemaking processes on wine metabolites. These results support the interest to pursue the development of 1H-NMR metabolomics to investigate the effects of winemaking on wine quality.
Evaluation of Available Cognitive Tools Used to Measure Mild Cognitive Decline: A Scoping Review
Authors: Chun Chian Thong , Seward Kirsty , Patterson Amanda , Melton Alice , MacDonald-Wicks Lesley
Published: November 2021

Cognitive decline is a broad syndrome ranging from non-pathological/age-associated cognitive decline to pathological dementia. Mild cognitive impairment MCI) is defined as the stage of cognition that falls between normal ageing and dementia. Studies have found that early lifestyle interventions for MCI may delay its pathological progression. Hence, this review aims to determine the most efficient cognitive tools to discriminate mild cognitive decline in its early stages. After a systematic search of five online databases, a total of 52 different cognitive tools were identified. The performance of each tool was assessed by its psychometric properties, administration time and delivery method. The Montreal Cognitive Assessment (MoCA, n = 15), the Mini-Mental State Examination (MMSE, n = 14) and the Clock Drawing Test (CDT, n = 4) were most frequently cited in the literature. The preferable tools with all-round performance are the Six-item Cognitive Impairment Test (6CIT), MoCA (with the cut-offs of ≤24/22/19/15.5), MMSE (with the cut-off of ≤26) and the Hong Kong Brief Cognitive Test (HKBC). In addition, SAGE is recommended for a self-completed survey setting whilst a 4-point CDT is quick and easy to be added into other cognitive assessments. However, most tools were affected by age and education levels. Furthermore, optimal cut-off points need to be cautiously chosen while screening for MCI among different populations.