bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular docking studies of potential inhibitors of acyl carrier protein and acetyl CoA Carboxylase in Plasmodium falciparum
Authors: Salifu Elliasu Y. , Rashid Issahaku A. , Abugri James , Osei Festus , Ayariga Joseph Atia 
Published: August 2022

ABSTRACTMalaria caused by Plasmodium falciparum, remains one of the most fatal parasitic diseases that has affected nearly a third of the world’s population. The major impediment to the treatment of malaria is the emergence of resistance of the P. falciparum parasite to current anti-malaria therapeutics such as Artemisinin (ART)-based combination therapy (ACT). This has resulted in countless efforts to develop novel therapeutics that will counter this resistance with the aim to control and eradicate the disease. The application of in silico modelling techniques has gained a lot of recognition in antimalarial research in recent times through the identification of biological components of the parasite for rational drug design. In this study we employed various in silico techniques such as the Virtual screening, molecular docking and molecular dynamic simulations to identify potential new inhibitors of biotin acetyl-coenzyme A (CoA) carboxylase and enoyl-acyl carrier reductase, two enzyme targets that play a crucial role in fatty acid synthesis in the Plasmodium parasite. Initially, 9 hit compounds were identified for each of the two enzymes from the ZincPharmer database. Subsequently, all hit compounds bind favourably to the active sites of the two enzymes as well as show excellent pharmacokinetic properties. Three (3) of the hits for the biotin acetyl-coenzyme A (CoA) carboxylase and six (6) of the enoyl-acyl carrier reductase showed good toxicity properties. The compounds were further evaluated based on the Molecular Dynamics (MD) simulation that confirmed the binding stability of the compounds to the targeted proteins. Overall, the lead compounds Zinc38980461, Zinc05378039, and Zinc15772056, were identified for acetyl-coenzyme A (CoA) carboxylase whiles zinc94085628, zinc93656835, zinc94080670, zinc1774609, zinc94821232 and Zinc94919772 were identified as lead compounds for enoyl-acyl carrier reductase. The identified compounds can be developed as a treatment option for the malaria disease although, experimental validation is suggested for further evaluation of the work.
UBA52 is crucial in HSP90 ubiquitylation and neurodegenerative signaling during early phase of Parkinson’s disease
Authors: Tiwari Shubhangini , Singh Abhishek , Gupta Parul , Singh Sarika 
Published: August 2022

AbstractProtein aggregation is one of the major pathological events in age-related Parkinson’s disease (PD) pathology, predominantly regulated by the ubiquitin-proteasome system (UPS). UPS essentially requires core component ubiquitin however, its role in PD pathology is obscure. This study aimed to investigate the role of ubiquitin encoding genes in the early phase of PD pathology. Wild-type human Myc-α-synuclein transfected neurons, α-synuclein-PFFs treated cells, rotenone-induced sporadic models of PD and SNCA C57BL/6J-Tg (Th-SNCA*A30P*A53T)39 Eric/J transgenic mice showed downregulated level of UBA52 in conjunction with significant downregulation of tyrosine hydroxylase (TH) and neuronal death. In silico predictions, mass spectrometric analysis and co-immunoprecipitation findings suggested strong interaction of UBA52 with α-synuclein, HSP90 and E3-ubiquitin ligase CHIP, besides its co-localization with α-synuclein in the mitochondrion. Next, in vitro ubiquitylation assay indicated an imperative requirement of the lysine-63 residue of UBA52 in CHIP-mediated HSP90 ubiquitylation. Myc-UBA52 expressed neurons exhibited the downregulated α-synuclein protein abundance with increased TH and restored proteasome activity during the diseased condition. Furthermore, Myc-UBA52 expression inhibited the augmented HSP90 protein level along with its various client proteins, HSP75 (homologue of HSP90 in mitochondrion) and ER stress-related markers during early PD. Taken together, data highlights the critical role of UBA52 in HSP90 ubiquitylation in parallel to its potential contribution to the modulation of various disease-related neurodegenerative signaling targets during the early phase of PD pathology.
Using the ANDROMEDA by Prosilico Software for Prediction of the Human Pharmacokinetics of 4 Compounds of Natural Origin - Colistin, Curucumin, UCN-01 and Voclosporin
Authors: Fagerholm Urban , Hellberg Sven , Alvarsson Jonathan , Spjuth Ola 
Published: August 2022

AbstractBackgroundIt is important that pharmacokinetic (PK) prediction methods are validated, and also for compounds with varying physicochemical properties, molecular weights and PK characteristics.MethodsThe objective was to investigate how well the ANDROMEDA by Prosilico software predicts the clinical PK of four compounds of natural origin and with PK obstacles, not yet fully characterized PK, and/or inaccurate lab method-based predictions - colistin (negligible absorption, good metabolic stability, significant excretion), curucumin (low solubility, apparently poor bioavailability), UCN-01 (extremely high degree of plasma protein binding, metabolic stability, long half-life and poor PK prediction) and voclosporin (poorly understood PK).ResultsAll categorial predictions except one were correct, and the median prediction error was 2.5-fold. Largest prediction errors were found for the unbound fraction in plasma (>24-fold), clearance (178-fold) and half-life (90-fold) of UCN-01. Corresponding errors for clearance and half-life obtained with allometry were greater, 5800- and 145-fold, respectively. Extremely high affinity for alpha1-acid glycoprotein could explain these large prediction errors for this compound. A substantial amount of data and knowledge was added with the predictions.ConclusionDespite challenging compounds and PK, predictions were comparably good. The results further validated ANDROMEDA by Prosilico for human clinical PK-predictions.
Numerical calculation of inchworm actuator reliability: effect of space temperature and material parameters
Authors: Dong Hangjia , Li Tuanjie , Wang Zuowei , Ning Yuming 
Published: August 2022

Purpose
The inchworm actuator is widely applied in space industry. One of the major issues in space instrumentation is the reliability, especially under space thermal load. The purpose of this paper is to present a numerical calculation method for the inchworm actuator reliability with considering the effect of space temperature.

Design/methodology/approach
First, the structure of designed inchworm actuator is introduced, and the main failure reason is analyzed. Then the wear model is proposed with considering the space temperature, and an experiment device is designed to verify the wear model. Finally, the reliability calculation method is developed based on the working principle of the inchworm actuator.

Findings
The numerical calculation method can be applied to calculate the reliability of the inchworm actuator with considering the space temperature. And the results provide a new perspective to discuss the influences of the temperature and driving voltage on the reliability of inchworm actuators.

Originality/value
This work presents a reliability calculation method of inchworm actuators with considering the space temperature.
Hostile takeover threats, managerial myopia and asset redeployability
Authors: Chatjuthamard Pattanaporn , Boonlert-U-Thai Kriengkrai , Jiraporn Pornsit , Uyar Ali , Kilic Merve 
Published: August 2022

Purpose
Exploiting two novel measures of takeover vulnerability and asset redeployability, this paper aims to investigate the effect of the takeover market on redeployable assets. Redeployable assets are those with alternative uses. Asset redeployability is a crucial concept in the literature on investment irreversibility.

Design/methodology/approach
In addition to the standard regression analysis, the authors execute several robustness checks: propensity score matching, entropy balancing, instrumental-variable analysis and generalized method of moment dynamic panel data analysis.

Findings
The authors’ results reveal that more takeover threats reduce asset redeployability significantly, corroborating the managerial myopia hypothesis. Hostile takeover threats reduce managers’ job security and thus induce them to myopically focus on the current utilization of assets in the short run, rather than how they may be deployed in the long run, resulting in less asset redeployability.

Originality/value
To the best of the authors’ knowledge, this study is the first to investigate the effect of takeover threats on asset redeployability. Because the authors’ measure of takeover vulnerability is principally based on the staggered passage of state legislations, which are plausibly exogenous, the authors’ results likely reflect causality, rather than merely an association.
Service failure research in the hospitality and tourism industry: a synopsis of past, present and future dynamics from 2001 to 2020
Authors: Akarsu Tugra Nazli , Marvi Reza , Foroudi Pantea 
Published: August 2022

Purpose
When service failure occurs, it leads to dissatisfaction, lack of trust and avoidance behaviour among customers, and it can also be seen as a threat to the survival of the business. This paper aims to investigate the current and potential dynamics of service failure research within the tourism and hospitality area.

Design/methodology/approach
By adopting qualitative, quantitative (citation and text mining) and science-mapping tools (descriptive, conceptual and intellectual), this study analyses 99 key papers on service failure in 18 major hospitality and tourism journals over a 20-year span.

Findings
The research on service recovery strategies, recovery efforts, pre- and post-failure and post-recovery in the service encounter and the impacts of justice on post-recovery and post-complaint behaviour are identified as the major streams of service failure research. While emotional labour, rumination and satisfaction recovery were identified as emerging themes, service failure perceptions and social media were found as the developed and substantial trends.

Practical implications
This study presents a comprehensive understanding of service failure research development in the hospitality and tourism industry. This study propose three areas – circumstantial cues, interactional cues and crisis management – that practitioners need to understand to minimise service failure during the service interaction.

Originality/value
To the best of the authors’ knowledge, no prior bibliometric study has investigated the current and future dynamics of service failure in the hospitality and tourism industry and offered a research agenda based on this gap in the literature.
Japanese industrial technological structure based on the number of patent applications by technical field
Authors: Yamada Hirokazu 
Published: August 2022

PurposeThis research outlines the technological structure of the entire Japanese manufacturing and service industry using the patent information from research and development (R&D) activities to set R&D goals.Design/methodology/approachBy analyzing the technological development capability of individual companies, the direction of the companies' R&D activities and current state of technological fusion between them can be understood. A group of companies participating in a particular product/service market must have the same technological development capabilities. As a result, the ratio of patent applications by a company to the total number of applications in a technical field will be similar across companies. This study uses the inter-company correlation coefficient of the ratio of patent applications by technical field as an index of technological development capability. A total of 167 major companies covering the major industries of Japan were analyzed. The analysis period was 15 years from 2004 to 2018, and the technical fields were rearranged to 42 fields with reference to the International Patent Classification (IPC)-Technology Concordance used by the World Intellectual Property Organization (WIPO). Considering the fluctuation in patent application opportunities, the number of patent applications was collected for at least three years for the analysis of patent applications by technical field, company and industry.FindingsExamining the entire Japanese industry, the research found that chemicals, ceramics, non-ferrous metals and electrical/electronic equipment act as intermediaries between the respective groups and are linked to the transportation equipment, electrical/electronic equipment and information and communication services industries that are currently driving the Japanese economy. However, the technical connections between these groups are relatively loose. Over the last 15 years, the propagation structure of technical knowledge information has not changed. The progress of technological fusion remains within the scope of commerce and is conditioned by commerce.Originality/valueStudies focusing on the technological development capability between companies and the technological structure of the Japanese manufacturing and service industries are almost non-existent since 2000 when Japan's economic growth slowed. The analytical methods presented in this research can be applied to individual companies to gain an understanding of technical positions of companies and can be useful for planning a technical environment, business or R&D strategy.
Risks of data-driven technologies in sustainable supply chain management
Authors: Ozkan-Ozen Yesim Deniz , Sezer Deniz , Ozbiltekin-Pala Melisa , Kazancoglu Yigit 
Published: August 2022

PurposeWith the rapid change that has taken place with digitalization and data-driven approaches in supply chains, business environment become more competitive and reaching sustainability in supply chains become even more challenging. In order to manage supply chains properly, in terms of considering environmental, social and economic impacts, organizations need to deal with huge amount of data and improve organizations' data management skills. From this view, increased number of stakeholders and dynamic environment reveal the importance of data-driven technologies in sustainable supply chains. This complex structure results in new kind of risks caused by data-driven technologies. Therefore, the aim of the study to analyze potential risks related to data privacy, trust, data availability, information sharing and traceability, i.e. in sustainable supply chains.Design/methodology/approachA hybrid multi-criteria decision-making (MCDM) model, which is the integration of step-wise weight assessment ratio analysis (SWARA) and TOmada de Decisao Interativa Multicriterio (TODIM) methods, is going to be used to prioritize potential risks and reveal the most critical sustainability dimension that is affected from these risks.FindingsResults showed that economic dimension of the sustainable supply chain management (SSCM) is the most critical concept while evaluating risks caused by data-driven technologies. On the other hand, risk of data security, risk of data privacy and weakness of information technology systems and infrastructure are revealed as the most important risks that organizations should consider.Originality/valueThe contribution of the study is expected to guide policymakers and practitioners in terms of defining potential risks causes by data-driven technologies in sustainable supply chains. In future studies, solutions can be suggested based on these risks for achieving sustainability in all stages of the supply chain causes by data-driven technologies.
Blockchain technology: a catalyst for reverse logistics of the automobile industry
Authors: Bajar Karthik , Kamat Aditya , Shanker Saket , Barve Akhilesh 
Published: August 2022

PurposeIn recent times, reverse logistics (RL) is gaining significant traction in various automobile industries to recapture returned vehicles’ value. A good RL program can lower manufacturing costs, establish a green supply chain, enhance customer satisfaction and provide a competitive advantage. However, reducing disruptions and increasing operational efficiency in the automobile RL requires implementing innovative technology to improve information flow and security. Thus, this manuscript aims to examine the hurdles in automobile RL activities and how they can be effectively tackled by blockchain technology (BCT). Merging BCT and RL provides the entire automobile industry a chance to generate value for its consumers through effective vehicle return policies, manufacturing cost reduction, maintenance records tracking, administration of vehicle information and a clear payment record of insurance contracts.Design/methodology/approachThis research is presented in three stages to accomplish the task. First, previous literature and experts' opinions are examined to highlight certain factors that are an aggravation to BCT implementation. Next, this study proposed an interval-valued intuitionistic fuzzy set (IVIFS) – decision-making trial and evaluation laboratory (DEMATEL) with Choquet integral framework for computing and analyzing the comparative results of factor interrelationships. Finally, the causal outline diagrams are plotted to determine the influence of factors on one another for BCT implementation in automobile RL.FindingsThis study has categorized the barriers to BCT implementation into five major factors – operational and strategical, technical, knowledge and behavioral, financial and infrastructural, and government rules and regulations. The results revealed that disreputable technology, low-bearing capacity of IT systems and operational inefficiency are the most significant factors to be dealt with by automobile industry professionals for finer and enhanced RL processes utilizing BCT. The most noticeable advantage of BCT is its enormous amount of data, permitting automobile RL to develop client experience through real-time data insights.Practical implicationsThis study reveals several factors that are hindering the implementation of BCT in RL activities of the automobile industry. The results can assist experts and policymakers improve their existing decision-making systems while making an effort to implement BCT into the automobile industry's RL activities.Originality/valueAlthough there are several studies on the benefits of BCT in RL and the adoption of BCT in the automobile industry, individually, none have explicated the use of BCT in automobile RL. This is also the first kind of study that has used IVIFS-DEMATEL with the Choquet integral framework for computing and analyzing the comparative results of factor interrelationships hindering BCT implementation in automobile RL activities.
Experimental investigation into face milling of Inconel X750 super alloy: a study on cutting force and surface topography
Authors: Chauhan Shailendra , Trehan Rajeev , Singh Ravi Pratap 
Published: August 2022

Purpose
This work aims to describe the face milling analysis on Inconel X-750 superalloy using coated carbides. The formed chips and tool wear were further analyzed at different cutting parameters. The various impact of cutting parameters on chip morphology was also analyzed. Superalloys, often referred to as heat-resistant alloys, have exceptional tensile, ductile and creep strength at high operating temperatures and good fatigue strength, and often better corrosion and oxidation resistance at extreme heat. Because of these qualities, these alloys account for more than half of the weight of sophisticated aviation, biomedical and thermal power plants today. Inconel X-750 is a high-temperature nickel-based superalloy that is hard to machine because of its extensive properties. At last, the discussion regarding the tool wear mechanism was analyzed and discussed in this article.

Design/methodology/approach
The machining parameters for the study are cutting speed, feed rate and depth of cut. One factor at a time approach was implemented to investigate the effect of cutting parameters on the cutting forces, surface roughness and material removal rate. The scatter plot was plotted between cutting parameters and target functions (cutting forces, surface roughness and material removal rate). The six levels of cutting speed, feed rate and depth of cut were taken as cutting parameters.

Findings
The cutting forces are primarily affected by the cutting parameters, tool geometry, work material etc. The maximum forces Fx were encountered at 10 mm/min cutting speed, 0.15 mm/rev feed rate and 0.4 mm depth of cut, further maximum forces Fy were attained at 10 mm/min cutting speed, 0.25 mm/rev feed rate and 0.4 mm depth of cut and maximum forces Fz were attained at 50 mm/min cutting speed, 0.05 mm/rev feed rate and 0.4 mm depth of cut. The maximum surface roughness value was observed at 40 mm/min cutting speed, 0.15 mm/rev feed rate and 0.5 mm depth of cut.

Originality/value
The effect of machining parameters on cutting forces, surface roughness, chip morphology and tool wear for milling of Inconel X-750 high-temperature superalloy is being less researched in the present literature. Therefore, this research paper will give a direction for researchers for further studies to be carried out in the domain of high-temperature superalloys. Furthermore, the different tool wear mechanisms at separate experimental trials have been explored to evaluate and validate the process performance by conducting scanning electron microscopy analysis. Chip morphology has also been evaluated and analyzed under the variation of selected process inputs at different levels.