Search

Although antimicrobial resistance before the Covid-19 pandemic is a top priority for global public health, research is already ongoing on novel organic compounds with antimicrobial and antiviral properties in changing medical environments in connection with Covid 19. Thanks to the Biginelli reaction, which allows the synthesis of pyrimidine compounds, blockers of calcium channels, antibodies, antiviral, antimicrobial, anti-inflammatory, or antioxidant therapeutic compounds were investigated. In this paper, we aim to present Biginelli's synthesis, its therapeutic properties, and the structural-functional relationship in the test compounds that allows the synthesis of antimicrobial compounds. Both the DFT and TD-DFT computations of spectral data, molecular orbitals (HOMO, LUMO) analysis, and electrostatic potential (MEP) surfaces are carried out as an add-on to synthetic research. Hirshfeld surface analysis was also used to segregate the different intermolecular hydrogen bonds involved in the molecular packing strength. Natural Bond Orbital (NBO) investigation endorses the existence of intermolecular interactions mediated by lone pair, bonding, and anti-bonding orbitals. The dipole moment, linear polarizability, and first hyperpolarizabilities have been explored as molecular parameters. All findings based on DFT exhibit the best consistency with experimental findings, implying that synthesized molecules are highly stable. To better understand the binding mechanism of the SARS-CoV-2 M

Antibiotic resistance (AR) is the result of microbes' natural evolution to withstand the action of antibiotics used against them. AR is rising to a high level across the globe, and novel resistant strains are emerging and spreading very fast.

In the present paper, several computational binding analyses were performed on ethyl 3,3,5,5-tetracyano-2-hydroxy-2-methyl-4,6-diphenylcyclohexane-1-carboxylate which was newly synthesized by three-component condensation of benzaldehyde with ethyl acetoacetate and malononitrile in the presence of trichloroacetic acid, and the structure was finally proved by X-ray analysis. The visualization of molecular interaction was carried out through Hirshfeld surface analysis and ESP. The atomic charges, HOMO, LUMO, and electrostatic potential were also studied to explore the insight of the molecule deeper, and then, natural bonding orbitals (NBO) and non-linear optical properties (NLO) were calculated to reveal the interactions that happen to be between the filled and vacant orbitals. Afterwards, molecular docking studies predicted the compound binding mode fits in the minor groove of DNA and remained interacts via stable bonding as validated by molecular dynamics simulations. The binding energy estimation also affirmed domination van der Waals and electrostatic energies. Lastly, the compound was found as good drug-like molecule and had good pharmacokinetic profile with exception of toxic moieties.

This study reports the synthesis of two new hydrazide derivatives, namely, (E)-N'-(4- bromobenzylidene)-2-(4-isobutylphenyl)propanehydrazide (4a) and (E)-N'-benzylidene-2-(4-isobutylphenyl)propanehydrazide (4b), respectively. The compounds were synthesized by the reaction of benzaldehyde with Ibuprofen acid hydrazide. Their structures were confirmed by X-ray crystallography. To try to do a more detailed investigation, computational studies including Hirshfeld surface analyses, energy frameworks, density functional theory (DFT) optimizations, frontier orbital analyses, molecular electrostatic potential analyses, and natural bond orbital analyses of the studied compounds are performed. Moreover, molecular docking and dynamics simulations of complexes of the compounds with the cyclooxygenase-2 (COX-2) enzyme were performed to determine the anti-inflammatory potential of the compounds. These analyses predicted the compounds to show maximum chemical interactions and be dynamically stable during simulation time. Furthermore, estimation of binding free energies confirmed the high binding affinity of the compounds for the COX-2 enzyme.

The cobalt (II) complexes have been synthesized from the reaction of the cationic entities (3,4-dimethylaniline (1) and histamine (2)) with metallic salt CoCl2⋅6H2O and thiocyanate ion (SCN−) as a ligand in H2O/ethanolic solution and processing by the evaporation crystal growth method at room temperature to get crystals. The synthesized complex has been fully characterized by single-crystal X-ray diffraction. UV–Visible, FTIR spectroscopy, TGA analysis, and DFT circulations were also performed. The crystal structural analysis reveals that the solid (1) {[Co(SCN)4] (C8H12N)3}·Cl crystallizes in the monoclinic system with the space group P21/n and the solid (2) {[Co(SCN)4](C5H11N3)2}·2Cl crystallizes in the monoclinic space group P21/m. Metal cations are joined into corrugated chains parallel to the b-axis direction in (1) and (2) by four thiocyanate anions. The crystal structures of (1) and (2) were calculated using XRPD data, indicating that they are closely connected to the DRX mono-crystal results. Different interactions pack the system into a ring formed by N–H⋯Cl and N–H⋯S hydrogen bonds. C–H⋯π and the π⋯π stacking of anilinuim ring for (1) and N–H⋯S intermolecular interactions for (1) and (2) increase the crystals' robustness. Hirshfeld surface analysis cum 2D fingerprint plots visualize the main intermolecular interactions with their contributions in the solid-state phase. The molecular geometries of both complexes obtained from the crystal structure were used for quantum chemical calculation. Here, frontier orbital analysis and electrostatic potential illustrate the chemical reactivities of metal–organic complexes. QTAIM and NCI analysis reveal the strength of interactions at the electronic level. peerReviewed

The present analysis has been performed in the wet-lab and computational environments. First, the synthesis of the latest heterocyclic compounds containing the alkyl organic compound fragment of acetate and glycine acid were obtained and then their crystal structure and biological activity were studied. (Z)-ethyl-2-(3-oxo-1,3-diphenylprop-1-enylamino) acetate (1) was initially retrieved on the supported reaction of dibenzene gas with glycine alkyl organic compound-complex within the presence of Y(OTF)

New complex compounds (I) - (IV) were synthesized by the reaction of 1-(2-fluorofluorophenyl) -1,4-dihydro-5H-tetrazole-5-thione (HL

Benzimidazole, a benzene-fused heterocyclic compound, has acquired significant attention in the field of contemporary medicinal chemistry because of its wide array of pharmacological activities. Nitrogen containing heterocyclic compounds are part of several therapeutically important agents with several recent patents shedding light on their worth. For these reasons, this review is concerned with different methods for synthesis of benzimidazole derivatives and their biological importance.

Background A low procalcitonin (PCT) concentration facilitates exclusion of bacterial co-infections in COVID-19, but high costs associated with PCT measurements preclude universal adoption. Changes in inflammatory markers, including C-reactive protein (CRP), can be concordant, and predicting low PCT concentrations may avoid costs of redundant tests and support more cost-effective deployment of this diagnostic biomarker. Objectives To explore whether, in COVID-19, low PCT values could be predicted by the presence of low CRP concentrations. Methods Unselected cohort of 224 COVID-19 patients admitted to hospital that underwent daily PCT and CRP measurements as standard care. Both 0.25 ng/mL and 0.5 ng/mL were used as cut-offs for positive PCT test results. Geometric mean was used to define high and low CRP values at each timepoint assessed. Results Admission PCT was 0.5 ng/mL in 37 (16.5%). Elevated PCT was associated with increased risk of death (P = 0.0004) and was more commonly associated with microbiological evidence of bacterial co-infection (P Conclusions CRP-guided PCT testing algorithms can reduce unnecessary PCT measurement and costs, supporting antimicrobial stewardship strategies in COVID-19.

Der vorliegende Artikel beschäftigt sich mit der Untersuchung ausgewählter Schulbibliotheken an Österreichs Schulen am Beispiel unterschiedlicher Schultypen in Wien und Niederösterreich. Die Lesekompetenz stellt eine Schlüsselkompetenz für erfolgreiche Lebensperspektiven dar und muss das zentrale Interesse aller Lehrpersonen nicht nur im Deutschunterricht sein. Die folgende Darstellung will der Frage nachgehen, in wie weit Schulbibliotheken diese Kompetenz erweitern und verbessern können und am Beispiel dreier Bibliotheken die theoretischen Anforderungen mit dem praktischen Schulalltag vergleichen.

In the present paper, several computational binding analysis were performed on Ethyl 3,3,5,5-tetracyano-2-hydroxy-2-methyl-4,6-diphenylcyclohexane-1-carboxylate which was newly synthesized by three-component condensation of benzaldehyde with ethyl acetoacetate and malononitrile in the presence of trichloroacetic acid and the structure was finally proved by X-ray analysis. The visualization of molecular interaction was carried out through Hirshfeld surface analysis and ESP. The atomic charges, HOMO, LUMO and electrostatic potential were also studied to explore the insight of the molecule deeper and then, natural bonding orbitals (NBO) and nonlinear optical properties (NLO) were calculated to reveal the interactions that happen to be between the filled and vacant orbitals. Afterwards, Molecular docking studies predicted the compound binding mode fits in the minor groove of DNA and remained interacts via stable bonding as validated by molecular dynamics simulations. The binding energy estimation also affirmed domination van der Waals and electrostatic energies. Lastly, the compound was found as good drug like molecule and had good pharmacokinetic profile with exception of toxic moieties.

Der Artikel soll am Beispiel der Autorin Marlene Streeruwitz untersuchen, ob ihre Werke als spezifisch österreichische Literatur nach linguistischen Kriterien zu identifizieren sind. Dabei soll aufgezeigt werden, dass alle sprachlichen Ebenen österreichische Varianten der nationalen Varietäten des Deutschen aufweisen.

Der folgende Artikel soll eine kurze Darstellung einer Möglichkeit bieten, als muttersprachliche Lektorin den Prozess des Fremdsprachenlernens im Kleide alternativer Methoden vorzustellen. Der Ausgangspunkt der Überlegungen zum Seminar "Theater im Unterricht" war die Hypothese, dass dramapädagogischer Unterricht ein fehlendes Glied in der Kette der an der Universität erlernten Methoden im Fremdsprachenunterricht darstellt, die für eine spätere Berufsausübung als DeutschlehrerInnen von Nutzen sein wird. Weiters wird behauptet, dass durch diesen alternativen Zugang die mündliche Kommunikationsfähigkeit verbessert wird, die Studierenden werden mit einem ganzheitlichen, handlungsorientierten Unterricht konfrontiert, der sie selbst zu HauptakteurInnen im Mittelpunkt des Geschehens werden lässt.

In diesem Artikel soll die Arbeit mit dem Europäischen Sprachenportfolio am germanistischen Lehrstuhl der Universität Ostrava/Tschechische Republik vorgestellt werden. Mithilfe einer Studie sollte festgestellt werden, inwiefern die selbständige Arbeit im Sprachenunterricht von den Studierenden angenommen und akzeptiert wird. Hauptergebnis der Untersuchung ist die positive Akzeptanz des Portfolios verbunden mit dem Wunsch der Ausweitung dieser Arbeitsweise auf die anderen Lehrfächer.

V-domain Ig suppressor of T cell activation (VISTA) is an immune checkpoint and is a type I transmembrane protein. VISTA is linked to immunotherapy resistance, and it is a potential immune therapeutic target, especially for triple-negative breast cancer. It expresses at a high concentration in regulatory T cells and myeloid-derived suppressor cells, and its functional blockade is found to delay tumor growth. A useful medicinal plant database for drug designing (MPD3), which is a collection of phytochemicals from diverse plant families, was employed in virtual screening against VISTA to prioritize natural inhibitors against VISTA. Three compounds, Paratocarpin K (PubChem ID: 14187087), 3-(1H-Indol-3-yl)-2-(trimethylazaniumyl)propanoate (PubChem ID: 3861164), and 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole (PubChem ID: 6494266), having binding energies stronger than −6 kcal/mol were found to have two common hydrogen bond interactions with VISTA active site residues: Arg54 and Arg127. The dynamics of the compound–VISTA complexes were further explored to infer binding stability of the systems. Results revealed that the compound 14187087 and 6494266 systems are highly stable with an average RMSD of 1.31 Å. Further affirmation on the results was achieved by running MM-GBSA on the MD simulation trajectories, which re-ranked 14187087 as the top-binder with a net binding energy value of −33.33 kcal/mol. In conclusion, the present study successfully predicted natural compounds that have the potential to block the function of VISTA and therefore can be utilized further in experimental studies to validate their real anti-VISTA activity.

Carbon steel is an important industrial material, but it usually suffers from serious corrosion in the service environment. Using corrosion inhibitors is an effective approach to mitigate corrosion. The synergistic inhibition behavior of sodium dodecyl sulfonate (SDS) and potassium iodide (KI) on carbon steel corrosion in hydrochloric acid medium was investigated by electrochemical test, surface morphology analysis, and molecular simulation approaches. Results show that the corrosion inhibition performance is significantly enhanced after the two substances are compounded, and the inhibition efficiency can reach approximately 96% at small doses. The Tafel polarization curves suggest that the mixtures can be classified as anodic corrosion inhibitors. Impedance tests indicate that the inhibitor molecules are adsorbed on the steel surface, resulting in an increase of charge transfer resistance but a decrease of electric double layer capacitance. The adsorption process follows the Langmuir adsorption isotherm. Molecular simulation calculations further reveal the active sites of SDS and the stabilizing effect that I− plays in the inhibition process. The present research offers an economic, environmentally friendly and efficient measure of corrosion control, and provides theoretical guidance for the efficient use of carbon steels and the development of novel corrosion inhibitors.

Resume Introduction La production scientifique est prise en compte dans la validation de l’ensemble de la formation theorique des chirurgiens en formation. L’objectif de cette etude etait d’evaluer la production scientifique indexee des chirurgiens en formation, toute specialite confondue. L’hypothese etait que l’activite de publication des jeunes chirurgiens est abondante et de bonne qualite. Methodes D’octobre 2016 a mars 2017, un sondage anonyme de 22 questions etait propose aux jeunes chirurgiens. Etaient inclus les internes, assistants specialistes (AS), chefs de clinique-assistant (CCA). Ces questions anonymes portaient sur des donnees demographiques, la soutenance d’une these d’exercice et d’un eventuel Master II ; pour toutes les publications etaient precises le rang d’auteur et le rang SIGAPS de la revue. La valeur du point SIGAPS etait estimee a 525€. Des questions portaient sur les stages hors-subdivision et les communications en congres. Des elements de perspectives de carrieres etaient requis. Resultats L’analyse a porte sur 627 reponses. Quatre cent onze internes (65 %), 155 CCA (25 %) et 61 assistants specialistes (10 %) avaient repondu, 94 % etaient en CHU. Quarante et un pour cent des theses soutenues etaient publiees et 43 % des Master II. Au total, 1813 publications dans des revues indexees etaient effectuees avec une moyenne de 1 ± 1, 3 ± 2 et 6 ± 3 publications respectivement par internes, assistants et CCA. Un tiers des articles l’etaient dans des revues internationales de rang A ou B. La production scientifique etait plus elevee lors du post-internat. Les stages hors-subdivision multipliaient par 4 le nombre de publications. Les CCA communiquaient plus au niveau international. La valorisation SIGAPS pour la totalite des publications etait estimee a 11 832 669€. Discussion Les jeunes chirurgiens en formation ont une activite de publication abondante et de bonne qualite. La these d’exercice, le Master II, les stages hors-subdivision et les communications en congres sont des moteurs de la publication. L’activite scientifique est indispensable a la formation de chirurgiens, l’encadrement de cette activite et les moyens a disposition doivent etre developpes. Niveau de preuve IV.

6-Methyl-7H,8H,9H-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-8-onehas been synthesized, characterized by spectroscopic techniques (FT-IR, 1H and 13C NMR) and finally the structure was confirmed by sing...

L’Inspection Panel della Banca Mondiale è stato il primo meccanismo indipendente (IAM) finalizzato a ricevere denunce da parte di persone che lamentavano un danno derivante dalla potenziale mancanza di sostegno alle politiche e alle procedure delle istituzioni finanziarie internazionali. Dal 1993 il Panel ha trattato denunce riguardanti i progetti della Banca Mondiale su richiesta delle comunità interessate e ha contribuito a porre rimedio ai relativi danni. L’articolo descrive dettagliatamente questi risultati, con particolare riguardo all’ “apprendimento istituzionale”, soffermandosi inoltre sulla collana Emerging Lessons Series del Panel stesso, una serie di pubblicazioni recenti che riassumono le esperienze derivanti da casi relativi a: reinsediamento involontario, popolazioni indigene, valutazione ambientale, consultazione e divulgazione. L’articolo si conclude con una discussione dei recenti miglioramenti apportati all’attività del Panel, sottolineando il suo ruolo nel promuovere comportamenti responsabili attraverso le procedure operative adottate e il successivo “apprendimento istituzionale”.

Since the outbreak of COVID-19 in 2019-2020, the highly contiguous disease caused by coronavirus 2 (SARS-CoV-2) spread worldwide in a short life span causing a disastrous effect and nearly 5.8 million deaths until February 2022. This global health crisis caused concerns about the disease's aetiology, epidemiology, and management. Understanding the virus's long- and short-term consequences on diverse human body organs and systems was one of the scientist's concerns despite the virus' respiratory system principal effect. Thus, after reporting neurological symptoms in approximately one-third of hospitalised patients with COVID-19, demonstrating how COVID-19 infects the central nervous system (CNS), causing neurodegenerative diseases in various patients and how the virus affects CNS function became quintessential. There are various mechanisms for COVID-19 pathophysiology, some implicating the potential virus invasion of the blood-brain barrier (BBB). Trans-synaptic and hematogenous routes are the main routes for the virus to pass through the barrier. Binding to the BBB endothelial cells is causing significant alterations in the permeability and integrity properties of the barrier, which cause an elevation of the incidence rate of neurodegenerative diseases such as Alzheimer's disease, Parkinson's disease, and Amyotrophic Lateral Sclerosis among COVI-19 patients. COVID-19 patients developed neurological manifestations ranging from mild symptoms to severe diseases such as headache and loss of smell, encephalitis and CNS-mediated respiratory distress. However, encephalitis is not a common complication, and it has a significant mortality rate in severely ill patients due to the hyperactivation of the host immune response. Although more investigations are needed, severe COVID- 19 patients are considered at a high risk of neurodegenerative disorder as a long-term consequence of SARS-CoV-2 infection.

Carbon steel corrosion inhibition in a hydrochloric acid solution by 2-((5-methyl-isoxazol-3-yl)-methyl)-benzimidazole (MMB) has been studied by electrochemical techniques (PDP and EIS). Results showed that the inhibition efficiency increases with higher MMB concentration, and the maximum value of 86.6% was obtained at 10-3 M concentration. The prepared benzimidazole inhibitor showed higher inhibition efficiency upon raising the solution temperature from 303 to 333 K. Corrosion current density decreased from 660.9 µA cm-2 (blank) to 97.8 µA cm-2 (MMB) and charge transfer resistance increased from 20.2 Ω cm2 (blank) to 150.8 Ω cm2 (MMB). PDP studies showed that MMB is a mixed type inhibitor. The adsorption of this compound onto the carbon steel surface in a 1 M HCl solution followed the Langmuir adsorption isotherm, and the value of the standard free energy of adsorption () is associated to physisorption and chemisorption.

Presented analysis work has performed in the wet-lab and computational environments. Firstly, the synthesis of latest heterocyclic compounds containing the alkyl organic compound fragment of acetate and glycine acid were obtained and then their crystal structure and biological activity was studied. (Z)-ethyl 2-(3-oxo-1,3-diphenylprop-1-enylamino) acetate (1) was initially retrieved on the supported reaction of dibenzene gas with glycine alkyl organic compound complex within the presence of Y(OTF)3 catalyst in liquid medium. At identical time, ethyl-3,5-diphenyl-1H-pyrrole-2-carboxylate (2) was synthesized from the interaction of aminoalkane with tert-BuOK within the presence of tert-BuOH/DMFA solvent. The structure of latest compounds has been studied by 1H, 13C NMR. Additionally, the crystal structure of ethyl-3,5-diphenyl-1H-pyrrole-2-carboxylate (2) is conferred. Moreover, computational druglikeness and pharmacokinetics indicated the compounds good drug like molecules and friendly pharmacokinetics making the compound valuable candidates to be explored for additional structural modification to act as potential inhibitor of AChE and α-glycosidase enzymes.

The novel coronavirus disease that arises in the end of 2019 (COVID-19) in Wuhan, China, has rapidly spread over the globe and was considered as a world pandemic. Currently, various antiviral therapies or vaccines are available, and many researches are ongoing for further treatments. Targeting the coronavirus' main protease (key enzyme: 3CLpro) is growing in importance in anti-SARS-CoV-2 drug discovery process. The present study aims at predicting the antiviral activity of two novel compounds using in silico approaches that might become potential leads against SARS-CoV-2. The 3D structures of the new compounds are elucidated by single-crystal X-ray techniques. The interactions between different units of 4 and 5 were emphasized by analyzing their corresponding Hirshfeld surfaces and ESP plots. NBO and FMO analyses were investigated as well. Molecular docking combined with molecular dynamics simulations (MDs) was performed to investigate the binding modes and molecular interactions of 4 and 5 with the amino acids of coronavirus main protease (6LU7) protein. The best docking scores were obtained for both ligands through the major binding interactions via hydrogen/hydrophobic bonds with the key amino acids in the active site: HIS41, CYS145, MET49, MET165, HIS172, and GLU166 amino acids. A MD simulation study was also performed for 100 ns to validate the stability behavior of the main protease 3CLpro-ligand complexes. The MD simulation study successfully confirmed the stability of the ligands in the binding site as potent anti-SARS-CoV-2 (COVID-19) inhibitors. Additionally, MMPBSA energy of both docked complexes was determined as a validation assay of docking and MD simulations to validate compound conformation and interaction stability with 3CLpro. The synthesized compounds might be helpful in the fight against COVID-19 prior to biological activity confirmation in vitro and in vivo.

Background A low procalcitonin (PCT) concentration facilitates exclusion of bacterial co-infections in COVID-19, but high costs associated with PCT measurements preclude universal adoption. Changes in inflammatory markers, including C-reactive protein (CRP), can be concordant, and predicting low PCT concentrations may avoid costs of redundant tests and support more cost-effective deployment of this diagnostic biomarker. Objectives To explore whether, in COVID-19, low PCT values could be predicted by the presence of low CRP concentrations. Methods Unselected cohort of 224 COVID-19 patients admitted to hospital that underwent daily PCT and CRP measurements as standard care. Both 0.25 ng/mL and 0.5 ng/mL were used as cut-offs for positive PCT test results. Geometric mean was used to define high and low CRP values at each timepoint assessed. Results Admission PCT was 0.5 ng/mL in 37 (16.5%). Elevated PCT was associated with increased risk of death (P = 0.0004) and was more commonly associated with microbiological evidence of bacterial co-infection (P

Two new compounds namely, ethyl (2E)-3-(dimethylamino)-2-(3-methoxyquinoxalin-2-yl)propen-2-enoate (

Fault detection (FD) is an essential and urgent task for modern wind turbines (WT). Numerous FD techniques developed in the literature and excellent performances achieved for this purpose. However, in real-world application due to sensitive to change in the mechanical system and environmental noise, the degradation in the achievements of fault detection methods remain a severe issue. In this paper, a fault detection procedure is presented for wind turbines to handle varying operating conditions. The process uses a deep belief network (DBN) to extract the nonlinear features and the invariant structures in the inputs signals for efficient and proper estimation. Then, the fault detection methodology is generated based on the obtained estimates. To verify the proposed method, the FD scheme is illustrated using a real wind speed sequence collected from the north of Morocco. Finally, the robust performance of the method is analyzed with a well-tuned neural network.

BackgroundStandard protocols for Pulsed-field gel electrophoresis (PFGE) were adopted and being used in a global scale for surveillance of many bacterial food-borne diseases. Matched PFGE bands are considered regardless of co-migration of different DNA fragments. Molecular epidemiology is turning toward whole genome sequencing (WGS). Although, WGS results can be digested In-silico, PFGE and WGS data are being compared separately. We describe a new image analysis algorithm that enables identification of how many DNA fragments co-migrate during PFGE. We built a database that compare described PFGE results to in-silico obtained digestion models (from WGS). Reliability of the method was assessed in-silico using novel computer simulation approach. From WGS, 1,816 digestion model (DMs) were obtained as recommended by PulseNet international. Simulation codes were designed to predict PFGE profiles when DMs are separated at 5% PFGE resolution in addition to expected co-migration levels.ResultsPFGE simulation has shown that about 35% of DNA fragments co-migrate at 5% PFGE resolution. Similar result was obtained when wet-lab PFGE profiles were analyzed using image analysis algorithm mentioned earlier. When image analysis results were compared to DMs, results returned by geltowgs.uofk.edu database revealed reasonable relatedness to DMs. In terms of number of PFGE typable DNA fragments, 45,517 were typable (representing 46.54% out of 97,801). Previously mentioned typable fragments (in terms of typable sizes) comprised 91.24% of the sum of nucleotides of all chromosomes tested (7.24 billion bp). However, significant variations were shown within and between different digestion protocols.ConclusionsIdentification of co-migration levels will reveal the third dimension of PFGE profiles. This will provide a better way for evaluating isolate relationships. Linking old PFGE results to WGS by means of simulation demonstrated here will provide a chance to link millions of PFGE epidemiological data accumulated during the last 24 years to the new WGS era. Evaluation of population dynamics of pathogenic bacteria will be deeper through space and time. Selection of restriction enzymes for PFGE typing will have a powerful in-silico evaluation tool.

Here we report synthesis of three new compounds namely, 1-acetyl-1H-benzimidazolo-2(3H)-one (I), N-(5-acetyl-6-methyl-2-oxo-2H-pyran-4-yl)-N-(2-acetamidophenyl)acetamide (II) and N-(2-acetamidophen...

The reliability of the wind turbine doubly-fed induction generator (DFIG) is of paramount concern for adequate power production. This paper investigates an effective fault detection scheme for DFIG using the deep auto-encoder (DAE) structure. The methods contain three main steps: first, the measurement of the stator currents and voltages directly presented to the DAE to capture the characteristics of the signals effectively. Second, using those features, a neural network model is used to detect faults affecting the stator immediately. Then, a binary decision logic proposed for isolation. The results confirm the method efficiency, rapidity, robustness against the occurrence of multiple faults in the presence of measurement noise and unknown inputs.

Infection is a rare complication following implantation of prosthetic material into a joint. The impact of asymptomatic bacteriuria (ASB) before elective operations and the subsequent risk of prosthetic joint infection (PJI) are not well understood.To assess the prevalence of ASB amongst patients undergoing total arthroplasty of the hip and knee; and to determine the rates of PJI diagnosed within two years of the arthroplasty and if ASB is an independent risk factor for developing PJI.Patients who had total/unicondylar knee or total hip arthroplasty were reviewed retrospectively over a five-year period. Pre-operative urine samples within one year of surgery were analysed, and those with ASB were identified. The primary outcome was PJI within the first postoperative year.In total, 5542 patients were included. Of these, 4368 had a pre-operative urine culture recorded. The prevalence of ASB was 140 of 4368 (3.2%). The overall PJI rate was 56 of 5542 (1.01%). Of those with PJI, 33 had a pre-operative urine sample recorded. The infection rates were 5% (seven of 140) in the ASB group, 0.61% (26 of 4228) in the no-ASB group and 1.96% (23 of 1174) in the group without a urine sample (P 0.001). The ASB isolate was the same micro-organism as the PJI isolate in one of the seven cases.The association between ASB and PJI is statistically significant, but the urine isolates did not relate to the isolates in the prosthetic joint, suggesting that the relationship is unlikely to be causal.