bluuebunny/crossref_metadata_2025 huggingface dataset:
Transfer of Process References between Machine Tools for Online Tool Condition Monitoring
Authors: Denkena Berend , Bergmann Benjamin , Stiehl Tobias H.
Published: November 2021

Process and tool condition monitoring systems are a prerequisite for autonomous production. One approach to monitoring individual parts without complex cutting simulations is the transfer of knowledge among similar monitoring scenarios. This paper introduces a novel monitoring method which transfers monitoring limits for process signals between different machine tools. The method calculates monitoring limits statistically from cutting processes carried out on one or more similar machines. The monitoring algorithm aims to detect general process anomalies online. Experiments comprise face-turning operations at five different lathes, four of which were of the same model. Results include the successful transfer of monitoring limits between machines of the same model for the detection of material anomalies. In comparison to an approach based on dynamic time warping (DTW) and density-based spatial clustering of applications with noise (DBSCAN), the new method showed fewer false alarms and higher detection rates. However, for the transfer between different models of machines, the successful application of the new method is limited. This is predominantly due to limitations of the employed process component isolation and differences between machine models in terms of signal properties as well as execution speed.
Predicting Pt-195 NMR Chemical Shift and 1J(195Pt-31P) Coupling Constant for Pt(0) Complexes Using the NMR-DKH Basis Sets
Authors: e Silva Joyce H. C. , Dos Santos Hélio F. , Paschoal Diego F. S.
Published: November 2021

Pt(0) complexes have been widely used as catalysts for important reactions, such as the hydrosilylation of olefins. In this context, nuclear magnetic resonance (NMR) spectroscopy plays an important role in characterising of new structures and elucidating reaction mechanisms. In particular, the Pt-195 NMR is fundamental, as it is very sensitive to the ligand type and the oxidation state of the metal. In the present study, quantum mechanics computational schemes are proposed for the theoretical prediction of the Pt-195 NMR chemical shift and 1J(195Pt–31P) in Pt(0) complexes. The protocols were constructed using the B3LYP/LANL2DZ/def2-SVP/IEF-PCM(UFF) level for geometry optimization and the GIAO-PBE/NMR-DKH/IEF-PCM(UFF) level for NMR calculation. The NMR fundamental quantities were then scaled by empirical procedures using linear correlations. For a set of 30 Pt(0) complexes, the results showed a mean absolute deviation (MAD) and mean relative deviation (MRD) of only 107 ppm and 2.3%, respectively, for the Pt-195 NMR chemical shift. When the coupling constant is taken into account, the MAD and MRD for a set of 33 coupling constants in 26 Pt(0) complexes were of 127 Hz and 3.3%, respectively. In addition, the models were validated for a group of 17 Pt(0) complexes not included in the original group that had MAD/MRD of 92 ppm/1.7% for the Pt-195 NMR chemical shift and 146 Hz/3.6% for the 1J(195Pt–31P).
Fault-Tolerance by Resilient State Transition for Collaborative Cyber-Physical Systems
Authors: Ali Nazakat , Hussain Manzoor , Hong Jang-Eui
Published: November 2021

Collaborative Cyber-Physical Systems (CCPS) are systems where several individual cyber-physical systems collaborate to perform a single task. The safety of a single Cyber-Physical System (CPS) can be achieved by applying a safety mechanism and following standard processes defined in ISO 26262 and IEC 61508. However, due to heterogeneity, complexity, variability, independence, self-adaptation, and dynamic nature, functional operations for CCPS can threaten system safety. In contrast to fail-safe systems, where, for instance, the system leads to a safe state when an actuator shuts down due to a fault, the system has to be fail-operational in autonomous driving cases, i.e., a shutdown of a platooning member vehicle during operation on the road is unacceptable. Instead, the vehicle should continue its operation with degraded performance until a safe state is reached or returned to its original state in case of temporal faults. Thus, this paper proposes an approach that considers the resilient behavior of collaborative systems to achieve the fail-operational goal in autonomous platooning systems. First, we extended the state transition diagram and introduced additional elements such as failures, mitigation strategies, and safe exit to achieve resilience in autonomous platooning systems. The extended state transition diagram is called the Resilient State Transition Diagram (R-STD). Second, an autonomous platooning system’s perception, communication, and ego-motion failures are modeled using the proposed R-STD to check its effectiveness. Third, VENTOS simulator is used to verify the resulting resilient transitions of R-STD in a simulation environment. Results show that a resilient state transition approach achieves the fail-operational goal in the autonomous platooning system.
SEIR Mathematical Model of Convalescent Plasma Transfusion to Reduce COVID-19 Disease Transmission
Authors: Husniah Hennie , Ruhanda Ruhanda , Supriatna Asep K. , Biswas Md. H. A.
Published: November 2021

In some diseases, due to the restrictive availability of vaccines on the market (e.g., during the early emergence of a new disease that may cause a pandemic such as COVID-19), the use of plasma transfusion is among the available options for handling such a disease. In this study, we developed an SEIR mathematical model of disease transmission dynamics, considering the use of convalescent plasma transfusion (CPT). In this model, we assumed that the effect of CPT increases patient survival or, equivalently, leads to a reduction in the length of stay during an infectious period. We attempted to answer the question of what the effects are of different rates of CPT applications in decreasing the number of infectives at the population level. Herein, we analyzed the model using standard procedures in mathematical epidemiology, i.e., finding the trivial and non-trivial equilibrium points of the system including their stability and their relation to basic and effective reproduction numbers. We showed that, in general, the effects of the application of CPT resulted in a lower peak of infection cases and other epidemiological measures. As a consequence, in the presence of CPT, lowering the height of an infective peak can be regarded as an increase in the number of remaining healthy individuals; thus, the use of CPT may decrease the burden of COVID-19 transmission.
Mathematical Modeling and Optimal Control of the Hand Foot Mouth Disease Affected by Regional Residency in Thailand
Authors: Wongvanich Napasool , Tang I-Ming , Dubois Marc-Antoine , Pongsumpun Puntani
Published: November 2021

Hand, foot and mouth disease (HFMD) is a virulent disease most commonly found in East and Southeast Asia. Symptoms include ulcers or sores, inside or around the mouth. In this research, we formulate the dynamic model of HFMD by using the SEIQR model. We separated the infection episodes where there is a higher outbreak and a lower outbreak of the disease associated with regional residency, with the higher level of outbreak occurring in the urban region, and a lower outbreak level occurring in the rural region. We developed two different optimal control programs for the types of outbreaks. Optimal Control Policy 1 (OPC1) is limited to the use of treatment only, whereas Optimal Control Policy 2 (OPC2) includes vaccination along with the treatment. The Pontryagin’s maximum principle is used to establish the necessary and optimal conditions for the two policies. Numerical solutions are presented along with numerical sensitivity analyses of the required control efforts needed as the control parameters are changed. Results show that the time tmax required for the optimal control effort to stay at the maximum amount umax exhibits an intrinsic logarithmic relationship with respect to the control parameters.
Set Stability and Set Stabilization of Boolean Control Networks Avoiding Undesirable Set
Authors: Liu Wen , Fu Shihua , Zhao Jianli
Published: November 2021

The traditional set stability of Boolean networks (BNs) refers to whether all the states can converge to a given state subset. Different from the existing results, the set stability investigated in this paper is whether all states in a given initial set can converge to a given destination set. This paper studies the set stability and set stabilization avoiding undesirable sets of BNs and Boolean control networks (BCNs), respectively. First, by virtue of the semi-tensor product (STP) of matrices, the dynamics of BNs avoiding a given undesirable set are established. Then, the set reachability and set stability of BNs from the initial set to destination set avoiding an undesirable set are investigated, respectively. Furthermore, the set stabilization of BCNs from the initial set to destination set avoiding a given undesirable set are investigated. Finally, a design method for finding the time optimal set stabilizer is proposed, and an example is provided to illustrate the effectiveness of the results.
Adaptation of Residual-Error Series Algorithm to Handle Fractional System of Partial Differential Equations
Authors: Aljarrah Hussam , Alaroud Mohammad , Ishak Anuar , Darus Maslina
Published: November 2021

In this article, an attractive numeric–analytic algorithm, called the fractional residual power series algorithm, is implemented for predicting the approximate solutions for a certain class of fractional systems of partial differential equations in terms of Caputo fractional differentiability. The solution methodology combines the residual function and the fractional Taylor’s formula. In this context, the proposed algorithm provides the unknown coefficients of the expansion series for the governed system by a straightforward pattern as well as it presents the solutions in a systematic manner without including any restrictive conditions. To enhance the theoretical framework, some numerical examples are tested and discussed to detect the simplicity, performance, and applicability of the proposed algorithm. Numerical simulations and graphical plots are provided to check the impact of the fractional order on the geometric behavior of the fractional residual power series solutions. Moreover, the efficiency of this algorithm is discussed by comparing the obtained results with other existing methods such as Laplace Adomian decomposition and Iterative methods. Simulation of the results shows that the fractional residual power series technique is an accurate and very attractive tool to obtain the solutions for nonlinear fractional partial differential equations that occur in applied mathematics, physics, and engineering.
Knowledge Dynamics and Behavioural Equivalences in Multi-Agent Systems
Authors: Aman Bogdan , Ciobanu Gabriel
Published: November 2021

We define a process calculus to describe multi-agent systems with timeouts for communication and mobility able to handle knowledge. The knowledge of an agent is represented as sets of trees whose nodes carry information; it is used to decide the interactions with other agents. The evolution of the system with exchanges of knowledge between agents is presented by the operational semantics, capturing the concurrent executions by a multiset of actions in a labelled transition system. Several results concerning the relationship between the agents and their knowledge are presented. We introduce and study some specific behavioural equivalences in multi-agent systems, including a knowledge equivalence able to distinguish two systems based on the interaction of the agents with their local knowledge.
Mathematical Model of Call Center in the Form of Multi-Server Queueing System
Authors: Nazarov Anatoly , Moiseev Alexander , Moiseeva Svetlana
Published: November 2021

The paper considers the model of a call center in the form of a multi-server queueing system with Poisson arrivals and an unlimited waiting area. In the model under consideration, incoming calls do not differ in terms of service conditions, requested service, and interarrival periods. It is assumed that an incoming call can use any free server and they are all identical in terms of capabilities and quality. The goal problem is to find the stationary distribution of the number of calls in the system for an arbitrary recurrent service. This will allow us to evaluate the performance measures of such systems and solve various optimization problems for them. Considering models with non-exponential service times provides solutions for a wide class of mathematical models, making the results more adequate for real call centers. The solution is based on the approximation of the given distribution function of the service time by the hyperexponential distribution function. Therefore, first, the problem of studying a system with hyperexponential service is solved using the matrix-geometric method. Further, on the basis of this result, an approximation of the stationary distribution of the number of calls in a multi-server system with an arbitrary distribution function of the service time is constructed. Various issues in the application of this approximation are considered, and its accuracy is analyzed based on comparison with the known analytical result for a particular case, as well as with the results of the simulation.
The Stability Analysis of A-Quartic Functional Equation
Authors: Muthamilarasi Chinnaappu , Santra Shyam Sundar , Balasubramanian Ganapathy , Govindan Vediyappan , El-Nabulsi Rami Ahmad , Khedher Khaled Mohamed
Published: November 2021

In this paper, we study the general solution of the functional equation, which is derived from additive–quartic mappings. In addition, we establish the generalized Hyers–Ulam stability of the additive–quartic functional equation in Banach spaces by using direct and fixed point methods.
Sojourn Times in a Queueing System with Breakdowns and General Retrial Times
Authors: Atencia Ivan , Galán-García José Luis
Published: November 2021

This paper centers on a discrete-time retrial queue where the server experiences breakdowns and repairs when arriving customers may opt to follow a discipline of a last-come, first-served (LCFS)-type or to join the orbit. We focused on the extensive analysis of the system, and we obtained the stationary distributions of the number of customers in the orbit and in the system by applying the generation function (GF). We provide the stochastic decomposition law and the application bounds for the proximity between the steady-state distributions for the queueing system under consideration and its corresponding standard system. We developed recursive formulae aimed at the calculation of the steady-state of the orbit and the system. We proved that our discrete-time system approximates M/G/1 with breakdowns and repairs. We analyzed the busy period of an auxiliary system, the objective of which was to study the customer’s delay. The stationary distribution of a customer’s sojourn in the orbit and in the system was the object of a thorough and complete study. Finally, we provide numerical examples that outline the effect of the parameters on several performance characteristics and a conclusions section resuming the main research contributions of the paper.
Uncovering the Bioactive Potential of a Cyanobacterial Natural Products Library Aided by Untargeted Metabolomics
Authors: Ferreira Leonor , Morais João , Preto Marco , Silva Raquel , Urbatzka Ralph , Vasconcelos Vitor , Reis Mariana
Published: November 2021

The Blue Biotechnology and Ecotoxicology Culture Collection (LEGE-CC) holds a vast number of cyanobacteria whose chemical richness is still largely unknown. To expedite its bioactivity screening we developed a natural products library. Sixty strains and four environmental samples were chromatographed, using a semiautomatic HPLC system, yielding 512 fractions that were tested for their cytotoxic activity against 2D and 3D models of human colon carcinoma (HCT 116), and non-cancerous cell line hCMEC/D3. Six fractions showed high cytotoxicity against 2D and 3D cell models (group A), and six other fractions were selected by their effects on 3D cells (group B). The metabolome of each group was organized and characterized using the MolNetEnhancer workflow, and its processing with MetaboAnalyst allowed discrimination of the mass features with the highest fold change, and thus the ones that might be bioactive. Of those, mass features without precedented identification were mostly found in group A, indicating seven possible novel bioactive molecules, alongside in silico putative annotation of five cytotoxic compounds. Manual dereplication of group B tentatively identified nine pheophytin and pheophorbide derivatives. Our approach enabled the selection of 7 out of 60 cyanobacterial strains for anticancer drug discovery, providing new data concerning the chemical composition of these cyanobacteria.
Molecular Proof of a Clinical Concept: Expression of Estrogen Alpha-, Beta-Receptors and G Protein-Coupled Estrogen Receptor 1 (GPER) in Histologically Assessed Common Nevi, Dysplastic Nevi and Melanomas
Authors: Spałkowska Magdalena , Dyduch Grzegorz , Broniatowska Elżbieta , Damiani Giovanni , Wojas-Pelc Anna
Published: November 2021

Background and Objectives: Epidemiologic data show significant differences in melanoma incidence and outcomes between sexes. The role of hormonal receptors in the pathogenesis of melanocytic lesions remains unclear, thus we performed this study aiming to assess estrogen receptors expression in different melanocytic lesions. Materials and Methods: We performed a cross-sectional study that included 73 consecutively excised melanocytic lesions. Estrogen receptor alpha (ERα), beta (ERβ), and G-protein coupled estrogen receptor (GPER) expression was analyzed in melanocytes and keratinocytes of common nevi, dysplastic nevi, melanoma, healthy skin margin, and in sebaceous and sweat gland cells. Results: ERβ expression was higher in dysplastic nevi margin melanocytes compared to common nevi (p = 0.046) and in dysplastic nevi keratinocytes compared to melanoma keratinocytes (p = 0.021). ERβ expression was significantly higher in margin melanocytes compared to melanoma melanocytes (p = 0.009). No difference in ERβ expression was shown between melanocytes of three types of lesions. GPER expression was higher in nuclei and cytoplasm of dysplastic nevi (p = 0.02 and p = 0.036 respectively) and at the margin compared to melanoma. GPER expression was lower in sebaceous glands of tissue surrounding common nevi (p = 0.025) compared to dysplastic nevi. GPER expression was higher in skin margin tissue melanocytes (p = 0.016 nuclear, p = 0.029 cytoplasmic) compared to melanoma melanocytes. There were no differences in ERα expression between the melanocytic lesions. Conclusion: Further large-scale studies are warranted to investigate the potential role of ERβ and GPER in the pathogenesis of melanocytic lesions.
Death Related to a Congenital Vascular Anomaly of Pulmonary Hamartoma Type: Malpractice or Tragic Fatality?
Authors: Marrone Maricla , Marrone Laura , Cazzato Gerardo , Baldassarra Stefania Lonero , Ingravallo Giuseppe , Stellacci Alessandra
Published: November 2021

In forensic pathology, apparently straightforward cases can often hide rarities that, if not correctly interpreted, can alter the results of the entire investigation, leading to misinterpretations. This occurs when the investigation is conducted to assess medical malpractice. An unexpected death, with no known apparent cause, is often linked to an underlying disease process of unclear etiological origin whose nature can, unfortunately, be properly investigated only post-mortem. This presentation shows a case study, in which it was possible to reconduct the death of a patient to a natural pathology and not to medical treatment. Here, the authors illustrate a case with a hamartoma developed in chronic inflammatory conditions (bronchiectasis) that was difficult to differentiate from lung cancer due to the inability to perform specific instrumental examinations. The hamartoma, usually benign and identifiable by standard instrumental investigations, in this case, led to the patient’s death precisely during the execution of a bronchoscopy. However, in the absence of a certain cause of death, public opinion unanimously attributes a patient’s disease to medical error. Indeed, a routine practice such as bronchoscopy should not cause death and consequently, the doctor must have made a mistake. Fortunately, the autopsy not only demonstrated the origin of the bleeding but also unveiled the reason for this, as rare congenital lung disease. Fate, one might say.
The Impact of the COVID-19 Pandemic on Medical Imaging Case Volumes in Aseer Region: A Retrospective Study
Authors: Alelyani Magbool , Alghamdi Ali , Shubayr Nasser , Alashban Yazeed , Almater Hajar , Alamri Sultan , Alghamdi Ahmad Joman
Published: November 2021

COVID-19 has had a significant impact on global health systems. The aim of this study was to evaluate how imaging volumes and imaging types in radiology departments have been affected by the COVID-19 pandemic across different locations. Methods: Imaging volumes in the Aseer region (in the south of Saudi Arabia) across main hospitals were reviewed retrospectively including all cases referred from different locations (outpatient, inpatient and emergency departments). Data for years 2019 and 2020 were compared. The mean monthly cases were compared using a t-test. Results: The total imaging volumes in 2019 were 205,805 compared to 159,107 in 2020 with a 22.7% overall reduction. A substantial decline was observed in both the April to June and the July to September periods of approximately 42.9% and 44.4%, respectively. With respect to location, between April and June, the greatest decline was observed in outpatient departments (76% decline), followed by emergency departments (25% decline), and the least impact was observed in inpatient departments, with only 6.8% decline over the same period. According to modality type, the greatest decreases were reported in nuclear medicine, ultrasound, MRI, and mammography, by 100%, 76%, 74%, and 66%, respectively. Our results show a statistically significant (p-value ≤ 0.05) decrease of cases in 2020 compared to 2019, except for mammography procedures. Conclusion: There has been a significant decline in radiology volumes due to COVID-19. The overall reduction in radiology volumes was dependent on the stage/period of lockdown, location, and imaging modality.
Effect of Breastfeeding and Its Duration on Impaired Fasting Glucose and Diabetes in Perimenopausal and Postmenopausal Women: Korea National Health and Nutrition Examination Survey (KNHANES) 2010–2019
Authors: Kwan Byung-Soo , Cho In-Ae , Park Ji-Eun
Published: November 2021

Background and Objectives: To examine the effect of maternal breastfeeding on the subsequent risk of diabetes in parous Korean women aged >50 years. Materials and Methods: A total of 14,433 participants from the Korea National Health and Nutrition Examination Survey (KNHANES) were included. The subjects were divided into three groups: normal, impaired fasting glucose, and diabetes. The adjusted odds ratios (ORs) for impaired fasting glucose (IFG) and diabetes were assessed using multivariate logistic regression. Results: A total of 2301 (15.94%) women were classified as having diabetes, and 3670 (25.43%) women were classified as having impaired fasting glucose. Breastfeeding was associated with an OR for diabetes of 0.76 (95% confidence interval (CI): 0.61, 0.95) compared with non-breastfeeding after adjustment for possible confounders in the multivariable logistic regression analysis. Breastfeeding for 13–24 months was associated with an OR of 0.68 (95% CI, 0.5, 0.91), and breastfeeding for 25–36 months was associated with an OR of 0.68 (95% CI, 0.52, 0.87) for diabetes compared with breastfeeding for <1 month in the multivariable logistic regression analysis. Conclusions: Our results suggest that long-term breastfeeding, particularly breastfeeding for 13–36 months, may be associated with a lower risk for diabetes later in life.
Thin Reinforced Ion-Exchange Membranes Containing Fluorine Moiety for All-Vanadium Redox Flow Battery
Authors: Moon Ha-Neul , Song Hyeon-Bee , Kang Moon-Sung
Published: November 2021

In this work, we developed pore-filled ion-exchange membranes (PFIEMs) fabricated for the application to an all-vanadium redox flow battery (VRFB) by filling a hydrocarbon-based ionomer containing a fluorine moiety into the pores of a porous polyethylene (PE) substrate having excellent physical and chemical stabilities. The prepared PFIEMs were shown to possess superior tensile strength (i.e., 136.6 MPa for anion-exchange membrane; 129.9 MPa for cation-exchange membrane) and lower electrical resistance compared with commercial membranes by employing a thin porous PE substrate as a reinforcing material. In addition, by introducing a fluorine moiety into the filling ionomer along with the use of the porous PE substrate, the oxidation stability of the PFIEMs could be greatly improved, and the permeability of vanadium ions could also be significantly reduced. As a result of the evaluation of the charge–discharge performance in the VRFB, it was revealed that the higher the fluorine content in the PFIEMs was, the higher the current efficiency was. Moreover, the voltage efficiency of the PFIEMs was shown to be higher than those of the commercial membranes due to the lower electrical resistance. Consequently, both of the pore-filled anion- and cation-exchange membranes showed superior charge–discharge performances in the VRFB compared with those of hydrocarbon-based commercial membranes.
Numerical Calculation of Stress Intensity Factors for Semi-Elliptical Surface Cracks in Buried-Arc Welded Thick Plates
Authors: Jukić Krešimir , Perić Mato , Tonković Zdenko , Skozrit Ivica , Jarak Tomislav
Published: November 2021

The present study deals with the influence of residual stresses induced by the buried-arc welding on the crack behavior in two butt-welded 20 mm thick plates. The following steps were undertaken: the thermo-mechanical simulation of the welding process, the mapping of stress results from a finite element (FE) mesh used for the welding simulation to a new FE mesh with a crack, the stress balancing, and the stress intensity factor (SIF) calculation. The FE and weight function (WF) methods were used to investigate the SIFs at the deepest point of semi-elliptical surface cracks with different geometries, orientations, and positions in relation to the weld line. In the case of cracks perpendicular to the weld line, the FE and WF results showed a good agreement for smaller cracks, while deviation between the results increases with the size of the crack. Considering the SIF solutions for the cracks of arbitrary orientation, it was observed that for some cases, the SIF value for mode III of crack opening can be of significant influence.
Differentiation of Cystic Fibrosis-Related Pathogens by Volatile Organic Compound Analysis with Secondary Electrospray Ionization Mass Spectrometry
Authors: Kaeslin Jérôme , Micic Srdjan , Weber Ronja , Müller Simona , Perkins Nathan , Berger Christoph , Zenobi Renato , Bruderer Tobias , Moeller Alexander
Published: November 2021

Identifying and differentiating bacteria based on their emitted volatile organic compounds (VOCs) opens vast opportunities for rapid diagnostics. Secondary electrospray ionization high-resolution mass spectrometry (SESI-HRMS) is an ideal technique for VOC-biomarker discovery because of its speed, sensitivity towards polar molecules and compound characterization possibilities. Here, an in vitro SESI-HRMS workflow to find biomarkers for cystic fibrosis (CF)-related pathogens P. aeruginosa, S. pneumoniae, S. aureus, H. influenzae, E. coli and S. maltophilia is described. From 180 headspace samples, the six pathogens are distinguishable in the first three principal components and predictive analysis with a support vector machine algorithm using leave-one-out cross-validation exhibited perfect accuracy scores for the differentiation between the groups. Additionally, 94 distinctive features were found by recursive feature elimination and further characterized by SESI-MS/MS, which yielded 33 putatively identified biomarkers. In conclusion, the six pathogens can be distinguished in vitro based on their VOC profiles as well as the herein reported putative biomarkers. In the future, these putative biomarkers might be helpful for pathogen detection in vivo based on breath samples from patients with CF.
Naphthalocyanine-Based NIR Organic Photodiode: Understanding the Role of Different Types of Fullerenes
Authors: Alwi Siti Anis Khairani , Hisamuddin Syaza Nafisah , Abdullah Shahino Mah , Anuar Afiq , Abdul Rahim Atiqah Husna , Majid Siti Rohana , Bawazeer Tahani M. , Alsoufi Mohammad S. , Alsenany Nourah , Supangat Azzuliani
Published: November 2021

In this work, we presented experimental observation on solution-processed bulk heterojunction organic photodiode using vanadyl 2,11,20,29-tetra tert-butyl 2,3 naphthalocyanine (VTTBNc) as a p-type material. VTTBNc is blended with two different acceptors, which are PC61BM and PC71BM, to offer further understanding in evaluating the performance in organic photodiode (OPD). The blend film of VTTBNc:PC71BM with a volumetric ratio of 1:1 exhibits optimized performance in the VTTBNc blend structure with 2.31 × 109 Jones detectivity and 26.11 mA/W responsivity at a −1 V bias. The response and recovery time of VTTBNc:PC71BM were recorded as 241 ms and 310 ms, respectively. The light absorption measurement demonstrated that VTTBNc could extend the light absorption to the near-infrared (NIR) region. The detail of the enhancement of the performance by adding VTTBNc to the blend was further explained in the discussion section.
Correction: Telford et al. Expanding the Geographic Characterisation of Epstein–Barr Virus Variation through Gene-Based Approaches. Microorganisms 2020, 8, 1686
Authors: Telford Marco , Hughes David A. , Juan David , Stoneking Mark , Navarro Arcadi , Santpere Gabriel
Published: November 2021

The authors wish to make the following correction to this paper [...]
Structural-Dynamics and Binding Analysis of RBD from SARS-CoV-2 Variants of Concern (VOCs) and GRP78 Receptor Revealed Basis for Higher Infectivity
Authors: Khan Abbas , Mohammad Anwar , Haq Inamul , Nasar Mohammad , Ahmad Waqar , Yousafi Qudsia , Suleman Muhammad , Ahmad Sajjad , Albutti Aqel , Khan Taimoor , Marafie Sulaiman K. , Alshawaf Eman , Ali Syed Shujait , Abubaker Jehad , Wei Dong-Qing
Published: November 2021

Glucose-regulated protein 78 (GRP78) might be a receptor for SARS-CoV-2 to bind and enter the host cell. Recently reported mutations in the spike glycoprotein unique to the receptor-binding domain (RBD) of different variants might increase the binding and pathogenesis. However, it is still not known how these mutations affect the binding of RBD to GRP78. The current study provides a structural basis for the binding of GRP78 to the different variants, i.e., B.1.1.7, B.1.351, B.1.617, and P.1 (spike RBD), of SARS-CoV-2 using a biomolecular simulation approach. Docking results showed that the new variants bound stronger than the wild-type, which was further confirmed through the free energy calculation results. All-atom simulation confirmed structural stability, which was consistent with previous results by following the global stability trend. We concluded that the increased binding affinity of the B.1.1.7, B.1.351, and P.1 variants was due to a variation in the bonding network that helped the virus induce a higher infectivity and disease severity. Consequently, we reported that the aforementioned new variants use GRP78 as an alternate receptor to enhance their seriousness.
Impact of Healthcare-Associated Infections Connected to Medical Devices—An Update
Authors: Dadi Nitin Chandra Teja , Radochová Barbora , Vargová Jarmila , Bujdáková Helena
Published: November 2021

Healthcare-associated infections (HAIs) are caused by nosocomial pathogens. HAIs have an immense impact not only on developing countries but also on highly developed parts of world. They are predominantly device-associated infections that are caused by the planktonic form of microorganisms as well as those organized in biofilms. This review elucidates the impact of HAIs, focusing on device-associated infections such as central line-associated bloodstream infection including catheter infection, catheter-associated urinary tract infection, ventilator-associated pneumonia, and surgical site infections. The most relevant microorganisms are mentioned in terms of their frequency of infection on medical devices. Standard care bundles, conventional therapy, and novel approaches against device-associated infections are briefly mentioned as well. This review concisely summarizes relevant and up-to-date information on HAIs and HAI-associated microorganisms and also provides a description of several useful approaches for tackling HAIs.
Secnidazole Is a Promising Imidazole Mitigator of Serratia marcescens Virulence
Authors: Khayyat Ahdab N. , Abbas Hisham A. , Khayat Maan T. , Shaldam Moataz A. , Askoura Momen , Asfour Hani Z. , Khafagy El-Sayed , Abu Lila Amr S. , Allam Ahmed N. , Hegazy Wael A. H.
Published: November 2021

Serratia marcescens is an opportunistic pathogen that causes diverse nosocomial infections. S. marcescens has developed considerable resistance to different antibiotics and is equipped with an armory of virulence factors. These virulence factors are regulated in S. marcescens by an intercellular communication system termed quorum sensing (QS). Targeting bacterial virulence and QS is an interesting approach to mitigating bacterial pathogenesis and overcoming the development of resistance to antimicrobials. In this study, we aimed to evaluate the anti-virulence activities of secnidazole on a clinical isolate of S. marcescens. The effects of secnidazole at sub-inhibitory concentrations (sub-MICs) on virulence factors, swarming motility, biofilm formation, proteases, hemolysin activity, and prodigiosin production were evaluated in vitro. Secnidazole’s protective activity against S. marcescens pathogenesis was assessed in vivo in mice. Furthermore, a molecular docking study was conducted to evaluate the binding ability of secnidazole to the S. marcescens SmaR QS receptor. Our findings showed that secnidazole at sub-MICs significantly reduced S. marcescens virulence factor production in vitro and diminished its pathogenesis in mice. The insilico docking study revealed a great ability of secnidazole to competitively hinder the binding of the autoinducer to the SmaR QS receptor. In conclusion, secnidazole is a promising anti-virulence agent that may be used to control infections caused by S. marcescens.
Adhesion Properties of Lactobacillus plantarum Dad-13 and Lactobacillus plantarum Mut-7 on Sprague Dawley Rat Intestine
Authors: Darmastuti Arum , Hasan Pratama N. , Wikandari Rachma , Utami Tyas , Rahayu Endang S. , Suroto Dian Anggraini
Published: November 2021

Adhesion capacity is considered one of the selection criteria for probiotic strains. The purpose of this study was to determine the adhesion properties of two candidate probiotics, Lactobacillus plantarum Dad-13 and Lactobacillus plantarum Mut-7. The evaluation included the hydrophobicity of the cell surface using microbial adhesion to hydrocarbons (MATH), autoaggregation, and the adhesion of L. plantarum Dad-13 and L. plantarum Mut-7 to the intestinal mucosa of Sprague Dawley rat, followed by genomic analysis of the two L. plantarum strains. L. plantarum Dad-13 and L. plantarum Mut-7 showed a high surface hydrophobicity (78.9% and 83.5%) and medium autoaggregation ability (40.9% and 57.5%, respectively). The exposure of both isolates to the surface of the rat intestine increased the total number of lactic acid bacteria on the colon compartment, from 2.9 log CFU/cm2 to 4.4 log CFU/cm2 in L. plantarum Dad-13 treatment and to 3.86 log CFU/cm2 in L. plantarum Mut-7 treatment. The results indicate the ability of two L. plantarum to attach to the surface of the rat intestine. The number of indigenous E. coli in the colon also decreased when the compartment was exposed to L. plantarum Dad-13 and Mut-7, from 2.9 log CFU/cm2 to 1 log CFU/cm2. Genomic analysis revealed that both strains have genes related to adhesion properties that could play an important role in increasing the adherence of probiotics to the intestinal mucosa such as gene encoding fibronectin-binding protein, chaperonin heat shock protein 33 (Hsp33), and genes related to the capsule and cell wall biosynthesis. Based on these findings, we believe that L. plantarum Dad-13 and L. plantarum Mut-7 have adhesion properties to the intestinal mucosa in the rat intestine model system. The present research will be essential to elucidate the molecular mechanism associated with adhesion in our two probiotic strains.
Diversity Indices of Plant Communities and Their Rhizosphere Microbiomes: An Attempt to Find the Connection
Authors: Zverev Aleksei O. , Kichko Arina A. , Pinaev Aleksandr G. , Provorov Nikolay A. , Andronov Evgeny E.
Published: November 2021

The rhizosphere community represents an “ecological interface” between plant and soil, providing the plant with a number of advantages. Despite close connection and mutual influence in this system, the knowledge about the connection of plant and rhizosphere diversity is still controversial. One of the most valuable factors of this uncertainty is a rough estimation of plant diversity. NGS sequencing can make the estimations of the plant community more precise than classical geobotanical methods. We investigate fallow and crop sites, which are similar in terms of environmental conditions and soil legacy, yet at the same time are significantly different in terms of plant diversity. We explored amplicons of both the plant root mass (ITS1 DNA) and the microbial communities (16S rDNA); determined alpha- and beta-diversity indices and their correlation, and performed differential abundance analysis. In the analysis, there is no correlation between the alpha-diversity indices of plants and the rhizosphere microbial communities. The beta-diversity between rhizosphere microbial communities and plant communities is highly correlated (R = 0.866, p = 0.01). ITS1 sequencing is effective for the description of plant root communities. There is a connection between rhizosphere communities and the composition of plants, but on the alpha-diversity level we found no correlation. In the future, the connection of alpha-diversities should be explored using ITS1 sequencing, even in more similar plant communities—for example, in different synusia.
Common Features and Intra-Species Variation of Cutibacterium modestum Strains, and Emended Description of the Species
Authors: Dekio Itaru , Okuda Ken-ichi , Nishida Masako , Hamada-Tsutsumi Susumu , Suzuki Tomo , Kinoshita Shigeru , Tamura Hiroto , Ohnuma Kenichiro , Murakami Yoshiyuki , Kinjo Yuki , Asahina Akihiko
Published: November 2021

Cutibacterium modestum is a new species coined in 2020 as the fifth species of genus Cutibacterium, which includes Cutibacterium acnes. The species is predicted as a minor but common member of skin microbiome and includes a group tentatively named as “Propionibacterium humerusii”. The description of the species has been provided only with a single strain. To establish the characteristics of C. modestum and search for possible disease-related subtypes, we investigated the biochemical characteristics of eight live strains and performed in silico comparison of nine genomes. The common features, which included the morphology of Gram-stain positive short rods, the negativity of phenylalanine arylamidase, and several unique MALDI-TOF MS spectral peaks, were considered useful in laboratory identification. Pairwise comparisons of the genomes by in silico DNA–DNA hybridization showed similarity values of 98.1% or larger, which were far higher than the subspecies cutoff of 79–80%. The 16S rRNA gene sequences of thirteen isolates and genomes were identical. Their recA gene sequences were identical except for two strains, HM-510 (HL037PA2) and Marseille-P5998, which showed unique one-nucleotide polymorphisms. The biochemical features using API kits were slightly different among the isolates but far closer than those of the nearest other species, C. acnes and Cutibacterium namnetense. Spectra of MALDI-TOF mass spectrometry showed slight differences in the presence of m/z 10,512 (10 kD chaperonin GroS) and three other peaks, further clustering the eight isolates into three subtypes. These results indicated that these isolates did not separate to form subspecies-level clusters, but subtyping is possible by using recA gene sequences or MALDI-TOF mass spectrometry spectra. Moreover, this work has confirmed that a group “P. humerusii” is included in C. modestum.
A Landscape of Lignocellulosic Biopolymer Transformations into Valuable Molecules by Heterogeneous Catalysis in C’Durable Team at IRCELYON
Authors: Djakovitch Laurent , Essayem Nadine , Eternot Marion , Rataboul Franck
Published: November 2021

This review article highlights part of the research activity of the C’Durable team at IRCELYON in the field of sustainable chemistry. This review presents a landscape of the work performed on the valorization of lignocellulosic biopolymers. These studies intend to transform cellulose, hemicellulose and lignin into valuable molecules. The methodology usually consists in evaluating the behavior of the biopolymers in the absence of catalyst under various conditions (solvent, temperature), and then to assess the influence of a catalyst, most often a heterogeneous catalyst, on the reactivity. The most significant results obtained on the upgrading of cellulose and lignin, which have been mainly investigated in the team, will be presented with an opening on studies involving raw lignocellulose.
Design and Synthesis of (2-oxo-1,2-Dihydroquinolin-4-yl)-1,2,3-triazole Derivatives via Click Reaction: Potential Apoptotic Antiproliferative Agents
Authors: El-Sheref Essmat M. , Elbastawesy Mohammed A. I. , Brown Alan B. , Shawky Ahmed M. , Gomaa Hesham A. M. , Bräse Stefan , Youssif Bahaa G. M.
Published: November 2021

A mild and versatile method based on Cu-catalyzed [2+3] cycloaddition (Huisgen-Meldal-Sharpless reaction) was developed to tether 3,3’-((4-(prop-2-yn-1-yloxy)phenyl)methylene)bis(4-hydroxyquinolin-2(1H)-ones) with 4-azido-2-quinolones in good yields. This methodology allowed attaching three quinolone molecules via a triazole linker with the proposed mechanism. The products are interesting precursors for their anti-proliferative activity. Compound 8g was the most active one, achieving IC50 = 1.2 ± 0.2 µM and 1.4 ± 0.2 µM against MCF-7 and Panc-1 cell lines, respectively. Moreover, cell cycle analysis of cells MCF-7 treated with 8g showed cell cycle arrest at the G2/M phase (supported by Caspase-3,8,9, Cytochrome C, BAX, and Bcl-2 studies). Additionally, significant pro-apoptotic activity is indicated by annexin V-FITC staining.
Spectrally and Time-Resolved Fluorescence Imaging of 22-NBD-Cholesterol in Human Peripheral Blood Mononuclear Cells in Chronic Kidney Disease Patients
Authors: Lajdova Ingrid , Ovsonkova Livia , Spustova Viera , Oksa Adrian , Chorvat Dusan , Mateasik Anton , Marcek Chorvatova Alzbeta
Published: November 2021

The interaction of the fluorescent probe 22-NBD-cholesterol with membranes of human peripheral blood mononuclear cells (PBMC) was tested by time- and spectrally resolved fluorescence imaging to monitor the disturbance of lipid metabolism in chronic kidney disease (CKD) and its treatment with statins. Blood samples from healthy volunteers (HV) and CKD patients, either treated or untreated with statins, were compared. Spectral imaging was done using confocal microscopy at 16 spectral channels in response to 458 nm excitation. Time-resolved imaging was achieved by time-correlated single photon counting (TCSPC) following excitation at 475 nm. The fluorescence of 22-NBD-cholesterol was mostly integrated into plasmatic membrane and/or intracellular membrane but was missing from the nuclear region. The presence of two distinct spectral forms of 22-NBD-cholesterol was uncovered, with significant variations between studied groups. In addition, two fluorescence lifetime components were unmasked, changing in CKD patients treated with statins. The gathered results indicate that 22-NBD-cholesterol may serve as a tool to study changes in the lipid metabolism of patients with CKD to monitor the effect of statin treatment.
Preclinical Pharmacokinetics and Acute Toxicity in Rats of 5-{[(2E)-3-Bromo-3-carboxyprop-2-enoyl]amino}-2-hydroxybenzoic Acid: A Novel 5-Aminosalicylic Acid Derivative with Potent Anti-Inflammatory Activity
Authors: Gutiérrez-Sánchez Mara , Romero-Castro Aurelio , Correa-Basurto José , Rosales-Hernández Martha Cecilia , Padilla-Martínez Itzia Irene , Mendieta-Wejebe Jessica Elena
Published: November 2021

Compound 5-{[(2E)-3-bromo-3-carboxyprop-2-enoyl]amino}-2-hydroxybenzoic acid (C1), a new 5-aminosalicylic acid (5-ASA) derivative, has proven to be an antioxidant in vitro and an anti-inflammatory agent in mice. The in vivo inhibition of myeloperoxidase was comparable to that of indomethacin. The aim of this study was to take another step in the preclinical evaluation of C1 by examining acute toxicity with the up-and-down OECD method and pharmacokinetic profiles by administration of the compound to Wistar rats through intravenous (i.v.), oral (p.o.), and intraperitoneal (i.p.) routes. According to the Globally Harmonized System, C1 belongs to categories 4 and 5 for the i.p. and p.o. routes, respectively. An RP-HPLC method for C1 quantification in plasma was successfully validated. Regarding the pharmacokinetic profile, the elimination half-life was approximately 0.9 h with a clearance of 24 mL/min after i.v. administration of C1 (50 mg/kg). After p.o. administration (50 mg/kg), the maximum plasma concentration was reached at 33 min, the oral bioavailability was about 77%, and the compound was amply distributed to all tissues evaluated. Therefore, C1 administered p.o. in rats is suitable for reaching the colon where it can exert its effect, suggesting an important advantage over 5-ASA and indomethacin in treating ulcerative colitis and Crohn’s disease.
Triterpenoid Saponins from the Cultivar “Green Elf” of Pittosporum tenuifolium
Authors: Pertuit David , Mitaine-Offer Anne-Claire , Miyamoto Tomofumi , Tanaka Chiaki , Belloir Christine , Briand Loïc , Lacaille-Dubois Marie-Aleth
Published: November 2021

Four oleanane-type glycosides were isolated from a horticultural cultivar “Green Elf” of the endemic Pittosporum tenuifolium (Pittosporaceae) from New Zealand: three acylated barringtogenol C glycosides from the leaves, with two previously undescribed 3-O-β-d-glucopyranosyl-(1→2)-[α-l-arabinopyranosyl-(1→3)]-β-d-glucuronopyranosyl-21-O-angeloyl-28-O-acetylbarringtogenol C, 3-O-β-d-galactopyranosyl-(1→2)-[α-l-arabinopyranosyl-(1→3)]-β-d-glucuronopyranosyl-21-O-angeloyl-28-O-acetylbarringtogenol C, and the known 3-O-β-d-glucopyranosyl-(1→2)-[α-l-arabinopyranosyl-(1→3)]-β-d-glucuronopyranosyl-21-O-angeloyl-28-O-acetylbarringtogenol C (Eryngioside L). From the roots, the known 3-O-β-d-glucopyranosyl-(1→2)-β-d-galactopyranosyl-(1→2)-β-d-glucuronopyranosyloleanolic acid (Sandrosaponin X) was identified. Their structures were elucidated by spectroscopic methods including 1D- and 2D-NMR experiments and mass spectrometry (ESI-MS). According to their structural similarities with gymnemic acids, the inhibitory activities on the sweet taste TAS1R2/TAS1R3 receptor of an aqueous ethanolic extract of the leaves and roots, a crude saponin mixture, 3-O-β-d-glucopyranosyl-(1→2)-[α-l-arabinopyranosyl-(1→3)]-β-d-glucuronopyranosyl-21-O-angeloyl-28-O-acetylbarringtogenol C, and Eryngioside L were evaluated.