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Cymbopogon schoenanthus is a natural plant that often grows in tropical regions such as North and West Africa. In order to valorize this aromatic plant from southern Algeria, we were interested in the chemical characterization of its essential oil by GC(Ir), GC-MS, and 13C NMR, and in the determination of the antifungal activity of its essential oil against toxinogenic strains isolated from spices sold in bulk. The detailed chemical analysis of all the parts of the plant collected from the station of El aguid of Bechar allowed to identify 48 components The composition was dominated by various alkohols bearing thep-menthane skeleton : cis-p-menth-2-en-1-ol (22.3%), trans-p-menth-2-en-1-ol (10.2%), cis-piperitol (10.1%) and trans-piperitol (5.3%). Monoterpenes hydrocarbons were representedby δ-2-carene (16.0%) and limonene (4.7%).β-elemol (4.8%) was the main oxygenated sesquiterpene followed by juniper camphor(2.6%), β-eudesmol (1.9%), selina-6-en-4α-ol(1.9%), intermedeol (1.4%) and α-eudesmol(1.3%). However in the second part of our study the essential oil of C. schoenanthus showed good activity towards Aspergillus fumigatus and AspergIllus flavus with inhibition zone diameters of 29.5mm and 23mm while the activity was lower towards Penicillium sp with a diameter of 11mm. The result of activity towards the toxic strain Penicillium sp has never been reported in the literature. On the other hand, the chemical characterization of the essential oil of the plant is the first one made on the station of el aguid of Bechar.

Cancer cells are resistant to apoptosis and this is one of the most obvious symptoms of cancer in humans. One of the most exciting strategies for treating cancer is to design regulators that increase cell death and stop cell growth. Members of the BCL-2 family of proteins play an important role in the regulation of apoptosis. In this study, an attempt was made to improve the performance of one of the anticancer drugs by designing new analogs of venetoclax (VNT). For this purpose, molecular docking studies were performed to determine the best binding state of VNT and its newly designed derivatives at the protein-binding site to estimate the binding energy. The best analog in terms of free energy was VNT-12 with the lowest energy (-12.15 kcal/mol). Finally, to investigate the inhibitory effect of the compounds on BCL-2 protein, molecular dynamics simulation was used, and by performing the relevant analyses during the simulation, it was observed that the newly designed ligand had better performance in inhibiting BCL-2 protein compared to VNT.

The effectiveness of some of the most commonly used models for predicting the bond strength of steel and glass-fibre-reinforced polymer reinforcing bars in normal-strength concrete (NSC) and high-strength concrete (HSC) was examined. To this end, a comprehensive database of published results on pullout specimens was collected. A non-linear least-squares fitting method was used to formulate simple and accurate models with a unified structure for both steel- and fibreglass-reinforced specimens. To investigate the efficiency of the proposed model for NSC, the results of specimens in the literature, which were not included in the model construction, were used. However, due to the scarcity of HSC bond specimens compared with NSC specimens, an experimental programme was conducted for model verification. The final results revealed that the simple equations developed in this study were capable of accurately predicting the bond strength of steel and polymer rebars in both NSC and HSC.

Time lapse showing cell aggregation during neurosphere formation in control condition.

Supplementary figures providing additionnal information concerning: - The cells glycome before and after PST3.1a treatment as measured by mass spectrometry (Supp. Figure 1) or Glycoprofile (Supp. Figure 2) - The absence of effect of PST3.1a on O-Glycosylation (Supp. Figure 3) - Western blot quantifications (Supp. Figure 4) - The inhibition of cell invasion in matrigel by PST3.1a (Supp. Figure 5) - The absence of cytotoxicity on non-proliferating PBMC cells (Supp. Figure 6).

Time lapse showing cell aggregation during neurosphere formation in PST3.1a-treated condition. In this condition, less cell aggregation is visible as compared to the control condition.

Glioblastoma multiforme (GBM) is the most common primary malignant brain tumor and accounts for a significant proportion of all primary brain tumors. Median survival after treatment is around 15 months. Remodeling of N-glycans by the N-acetylglucosamine glycosyltransferase (MGAT5) regulates tumoral development. Here, perturbation of MGAT5 enzymatic activity by the small-molecule inhibitor 3-hydroxy-4,5-bis-benzyloxy-6-benzyloxymethyl-2-phenyl2-oxo-2λ5-[1,2]oxaphosphinane (PST3.1a) restrains GBM growth. In cell-based assays, it is demonstrated that PST3.1a alters the β1,6-GlcNAc N-glycans of GBM-initiating cells (GIC) by inhibiting MGAT5 enzymatic activity, resulting in the inhibition of TGFβR and FAK signaling associated with doublecortin (DCX) upregulation and increase oligodendrocyte lineage transcription factor 2 (OLIG2) expression. PST3.1a thus affects microtubule and microfilament integrity of GBM stem cells, leading to the inhibition of GIC proliferation, migration, invasiveness, and clonogenic capacities. Orthotopic graft models of GIC revealed that PST3.1a treatment leads to a drastic reduction of invasive and proliferative capacity and to an increase in overall survival relative to standard temozolomide therapy. Finally, bioinformatics analyses exposed that PST3.1a cytotoxic activity is positively correlated with the expression of genes of the epithelial–mesenchymal transition (EMT), while the expression of mitochondrial genes correlated negatively with cell sensitivity to the compound. These data demonstrate the relevance of targeting MGAT5, with a novel anti-invasive chemotherapy, to limit glioblastoma stem cell invasion. Mol Cancer Res; 15(10); 1376–87. ©2017 AACR.

Background and Objectives: Gait and balance disturbances are challenging conditions in patients with Diabetic Peripheral Neuropathy (DPN). The overall literary consensus is that rehabilitation interventions are effective in improving gait performance in this patient group. This review sought to highlight and assess the literature and provide a scoping review on the current knowledge gaps in the rehabilitation interventions for the gait problems of patients with DPN. Methods: An electronic databases search was done between 2001 and May 2020. Besides, a hand-search method was used for grey literature. Two experts reviewed the results and screened them based on the subject’s diagnosis with DPN and gait problems. Results: Of 87 studies obtained, nine met the inclusion criteria. The frequent components of the rehabilitation interventions included exercise therapy, dual-task intervention, and the use of assistive devices. The outcomes utilized most frequently included changes in balance and stability, muscle strength, proprioception, function, and gait parameters. Conclusion: Evidence was formed as a scoping review to guide rehabilitation for DPN patients with gait problems. Rigorous comparative studies with clearly defined interventions are needed.

Purpose: The inferior alveolar nerve block (IANB) is a necessary and frequent local anesthetic injection in dental practice in which the conventional technique is generally applied. However, multiple studies reported that the failure rate of IANB is high, whereupon our study aimed to assess the modified and conventional IANB techniques, concerning the success rate. Methods: A split-mouth single-blind randomized clinical trial study was conducted on 42 patients (84 cases) as paired analyzing, between 18 to 55 years-old, who needed bilateral IANB for posterior mandibular teeth extraction. To apply the modified technique, the barrel of the syringe was located in the corner of the mouth; while mouth is open wide and the needle-penetrated mucosa exactly lateral (anterior) to the pterygomandibular fold (PMF). The needlepoint was 5–15 mm above the occlusal plane (OP) according to the digital panoramic radiography and parallel to OP. The outcomes were analyzed using the Cochran-Mantel-Haenszel test. Results: The success rates were 97.6% in the modified IANB and 83.3% in the conventional technique, evaluating in the first 10 minutes.Conclusion: The clinician can operate IANB by modified technique with fewer anatomical landmarks, clear injection points and the higher success rate upon which the performance will be easy by the beginners. Trial registration IRCT20150924024167N2, on 07.03.2020, was retrospectively registered.

Diagnostic testing plays a fundamental role in the mitigation and containment of coronavirus disease 2019 (COVID-19), as it enables immediate quarantine of those who are infected and contagious and is essential for the epidemiological characterization of the virus and estimating the number of infected cases worldwide. Confirmation of viral infections, such as COVID-19, can be achieved through two general approaches: nucleic acid amplification tests (NAATs) or molecular tests and serological or antibody-based tests. The genetic material of the pathogen is detected in NAAT, and in serological tests, host antibodies produced in response to the pathogen are identified. Other methods of diagnosing COVID-19 include radiological imaging of the lungs and in vitro detection of viral antigens. This review covers the different approaches available for diagnosing COVID-19 by outlining their advantages and shortcomings, as well as appropriate indications for more accurate testing., Graphical abstract Image 1

This study aimed to assess the effects of cognitive-behavioral play therapy on anxiety and aggression in children with attention-deficit hyperactivity disorder (ADHD) by reporting a 7-year-old boy with ADHD inattentive type diagnosed by a psychiatrist. According to the interview, it was observed that the child was physically abused by the father. The chief complaint of the patient’s family was the symptoms of aggression, anxiety disorder, and urinary incontinence. We used the trauma system therapy model, which is used for children and adolescents who have had traumatic experiences and problems with emotional and behavioral modifications. The intervention was provided in 8 sessions for 2 days a week and lasted 45 minutes each. The child was evaluated using the Aggression Scale for Preschoolers and Preschool Anxiety Scale. The results of this study showed that cognitive behavior play therapy can reduce anxiety and aggression in ADHD children who are physically abused.

The coronavirus disease 2019 (COVID-19) outbreak, caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is currently one of the biggest threats to global public health. Ever since its initial discovery in late 2019, there has been a monumental increase in morbidity and mortality rate around the world. It is known that the most promising approach to alleviate the intensity of the current COVID-19 pandemic is by the development of innocuous and immunologically effective vaccines. The academia, industry, and government sectors all over the world are working closely to develop vaccines based on various generic platforms. Some platforms include the traditional inactivated and attenuated vaccines, and some include various new generation vaccines. As of 22 December 2020, the worldwide COVID-19 vaccine landscape includes a total of 233 vaccine candidates, out of which 61 are going through clinical evaluation. Some of these vaccines have shown acceptable safety and immunogenicity with two of them recently receiving authorization from the U.S. Food and Drug Administration (FDA) for emergency use. In this review, we will summarize the SARS-CoV-2 and immune system interaction and highlight the main lessons learned from earlier vaccination studies of Severe Acute Respiratory Syndrome (SARS) and Middle East Respiratory Syndrome (MERS) coronaviruses (CoVs). In addition, an overview of the up-to-date advancements and potential challenges associated with COVID-19 vaccine development will be discussed.

The unprecedented outbreak of COVID-19, caused by SARS-CoV-2, is the biggest international challenge since World War II. The fight against this pandemic has urged the scientific community to direct massive efforts toward developing accurate and timely testing methods. The current COVID-19 tests fall into two general categories: nucleic acid amplification tests (NAAT), also known as molecular tests, and serological or antibody-based tests. Molecular tests directly detect the genome of the pathogen, whereas serological tests detect antibodies produced in response to the pathogen. Alternative testing platforms, such as radiological imaging of the lungs and tests based on the detection of viral antigens, have been also employed for diagnosing COVID-19. Each diagnostic platform has its own merits and demerits considering various parameters. Due to SARS-CoV-2’s high transmissibility rate, specific and accurate diagnostic methods for large-scale screening of patients is vital. Here, we will highlight the characteristics of various diagnostic and surveillance techniques that are currently available for SARS-CoV-2 detection and provide implications for more accurate testing. This topic is rapidly evolving, and a review that covers novel approaches needed to diagnose COVID-19 may be useful in choosing the appropriate detection method. Some of these methods are in the proof-of-concept stage of development, and further clinical evaluation is required.

The latest vision of the 5G architecture has been defined, few months before launching the future generation of cellular networks. Even though this revolutionary milestone, the researches and the works are still in progress.

The 5G architecture has been defined few months before launching the future generation of cellular networks. This revolutionary milestone encourages academics and researchers to improve this technology. The main goal of this perceivable work is to construct a 5G network in the center of Marrakech City, a convenable area to apply the Dense Urban Enhanced Mobile Broadband (eMBB) scenario. The non-standalone deployment was the best option for this work, due to its advantages for the signal transmission. Our construction study is based on the visualization of the Signal-to-Interference-plus-Noise Ratio (SINR) in the simulation part, in order to test the transmissions effectiveness of the studied and the proposed scheme. This paper highlights the necessary elements that will constitute our 5G network. Using this framework, the 5G network planning in the center of Marrakech City will be evaluated.

Purpose SiO2 and SiO2-ZrO2 nanocomposites were coated by sol–gel dipping method on carbon steel 178 (178 CS). Nanostructure and phase properties of nanocomposite coating were characterized using X-ray diffraction, scanning electron microscopy and Fourier transform infrared studies. Electrochemical polarization and electrochemical impedance spectroscopy (EIS) tests were used to study the corrosion behavior of 178 CS that was coated with SiO2-ZrO2 nanocomposite and SiO2 coating in 3.5 per cent NaCl solution. The results indicated that SiO2-ZrO2 nanocomposite coating performed better in terms of corrosion resistance compared with SiO2 coating. The corrosion resistance of SiO2-ZrO2 nanocomposite coating could be increased significantly in by approximately three and seven times of that of SiO2 coating and bare 178 CS, respectively. Design/methodology/approach SiO2 and SiO2-ZrO2 nanocomposites were coated using sol–gel dipping method on carbon steel 178. Electrochemical polarization and EIS tests have been used to study the corrosion behavior of 178 CS that was coated with SiO2-ZrO2 nanocomposite and SiO2 coating in 3.5 per cent NaCl solution. Findings Results indicated that SiO2-ZrO2 nanocomposite coating performed better in terms of corrosion resistance compared with SiO2 coating. The corrosion resistance of SiO2-ZrO2 nanocomposite coating could be increased significantly in by approximately three and seven times of that of SiO2 coating and bare 178 CS, respectively. Originality/value The SiO2-ZrO2 nanocomposite coating film showed significant improvement in corrosion resistance of 178 CS. The highest polarization resistance of the nanocomposite coating film was 10,600 Ω/cm2 from SiO2-0.2 ZrO2.

New research directions bring basic changes in the design of future fifth generation (5G) cellular networks. Millimeter wave communication (mmWave) has emerged as a key to enable the next generation. This perceivable survey focuses on identifying this new technology and its potential impact on 5G, by synthesizing high quality researches. This paper highlights the most recent and the newest substantive design choices, the features and the challenges to overcome in the mmWave area. We begin by defining the characteristics of mmWave communication. Using this framework, we evaluate the changes that will bring to the 5G new radio (5G NR) while using this frequency band. This article does not provide a final solution because researches are still in progress in this field, but it transmits the latest vision of the future architecture.

Glioblastoma Multiforme (GBM) invasiveness renders complete surgical resection impossible and highly invasive Glioblastoma Initiating Cells (GICs) are responsible for tumour recurrence. Their dissemination occurs along pre-existing fibrillary brain structures comprising the aligned myelinated fibres of the corpus callosum (CC) and the laminin (LN)-rich basal lamina of blood vessels. The extracellular matrix (ECM) of these environments regulates GIC migration, but the underlying mechanisms remain largely unknown. In order to recapitulate the composition and the topographic properties of the cerebral ECM in the migration of GICs, we have set up a new aligned polyacrylonitrile (PAN)-derived nanofiber (NF) scaffold. This system is suitable for drug screening as well as discrimination of the migration potential of different glioblastoma stem cells. Functionalisation with LN increases the spatial anisotropy of migration and modulates its mode from collective to single cell migration. Mechanistically, equally similar to what has been observed for mesenchymal migration of GBM in vivo, is the upregulation of galectin-3 and integrin-β1 in Gli4 cells migrating on our NF scaffold. Downregulation of Calpain-2 in GICs migrating in vivo along the CC and in vitro on LN-coated NF underlines a difference in the turnover of focal adhesion (FA) molecules between single-cell and collective types of migration.

Shahre-Kord aquifer is located at the east part of Karoon basin. The water of Shahre-Kord aquifer has acceptable to unsuitable quality for drinking and also suitable and useful for the agricultural utilities. In this research, sampling from the studied aquifer was performed at spring and autumn. The obtained results of analysis performed on autumn samples revealed that the concentration of nitrate in the two wells was higher than its allowable limit in the drinking water. In the measurements of the samples at the end of spring, the highest concentration of nitrate from 16 samples belongs to the drinking water of Taghanak municipality which also has more than the allowable limit within the drinking water range, whereas the concentration of phosphate in all samples lies in the allowable limit. The samples were prepared through treatment by plant materials and different values of nanoscale zero-valent iron (NZVI) during 7 days. The measuring of nitrate concentration of samples illustrated that the south of aquifer have higher concentration in autumn than spring because N-fertilizers usually are used in autumn and the spring precipitation of nitrates. The results derived by several treatment methods in this study indicate that the combination of NZVI with fine pieces of corn for a period of 7 days is the best treatment, which has the highest efficiency for nitrate removal from an aquifer.

Prostate specific antigen (PSA) as a prostate cancer marker has a significant role in screening the tumor in the initial stages. The LSPR is a versatile and robust technique among the PSA detection methods. In this study an ultra-sensitive label-free nanobiosensor was designed for determination of PSA at low concentration level in serum samples using antibody conjugated‑gold nanoparticle (GNP) and the high affinity binding mechanism of antibody/GNP probe with PSA protein was investigated by computational modeling. The first crystal structure of the complex between human PSA and monoclonal antibody (mAb) 8G8F5 were studied using molecular dynamics (MD) simulations. MD simulation also supports the formation of the antibody–PSA complex. The sensing principle is based on the LSPR peak shift produced by small changes in the refractive index of the dielectric medium around the probe upon binding to the antigen. The GNPs were synthesized by the citric acid reduction method and characterized by the UV–Vis spectrophotometry and dynamic light scattering. The 10 nm gold nanoparticles were covalently conjugated to the anti-PSA antibody and the affecting factors such as the concentration ratio of the antibody to Au NPs, pH and temperature were optimized. A detection limit of 0.2 ng mL−1, and calibration sensitivity of 43.75 nm/(ng mL−1) were obtained.

An important form of carbon nanoparticles that are used for a wide range of applications, are carbon dots (CDs). In this study, a very easy, in expensive and green process was described for the preparation of CDs by using hydrothermal treatment of Tragacanth Gum (TG). A rapid assay for the determination of trace amounts of an anticancer medication doxorubicin (DOX) was developed, based on the quenching of the CDs derived from their aggregation. Electrostatic interaction between CDs and DOX could lead to fluorescence quenching. The optimized biosensor showed a detection range from 1 to 400 ng mL-1 and a limit of detection of 0.4 ng mL-1 . In the following, the synthesized CDs modified the Boehmite (Boh) mesoporous surface based on hydrogen bonding. The Boh has been used as supports and ideal hosts in this method, in which the particle size distribution of CDs in the pores of Boh is limited and they have controlled pore sizes. Accordingly, the surface-to-volume ratio and the presence of high-volume pores increased the longevity and sustainability of CDs; also prevented the aggregation of the CDs and improved their photo stability. The advantages of Boh are large pore volume, high surface area, and narrow size distribution. Variable factors influencing optical sensor response in DOX measurement were evaluated and optimized. In optimal conditions, the linear range was calculated from 1 to 500 ngmL-1 and the detection limit was 0.2 ng mL-1 . The sensors were used for measuring DOX in human blood plasma.

Photophysical phenomena associated with carbon nanoparticles in combination with biocompatibility and readily functionalizable properties have attracted significant interest for sensing and imaging applications. A potassium ion optode based on the fluorescence quenching of carbon quantum dots (CQDs) was constructed. The CQDs were synthesized using a microwave method, citric acid and 2,2'-(ethylene-dioxy)bis(ethylamine). A quantum yield of 7.1% was calculated for the synthesized CQDs. A linear dynamic range of about one-order of magnitude with a correlation coefficient of 0.99 was obtained. The optode was applied on real samples and a 0.60-1.60% error range was obtained relative to the ion-selective electrode.

TiO2 nanowire arrays were successfully fabricated by liquid-phase deposition method using porous alumina templates. The obtained TiO2 nanowires were characterized using Raman spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), and selected area electron diffraction (SAED) analysis. Results of electron microscopic observations indicated that the nanowires were smooth and uniform with a diameter of about 50–80 nm and several micrometers in length. SAED, Raman, and XRD measurements showed that TiO2 nanowires were single-crystalline with a pure rutile structure after heating at 800 °C for 10 h. In this situation, the nanowire constituents grew preferentially along the direction. Furthermore, the formation process and mechanistic study of the TiO2 nanowire arrays were proposed and discussed in detail. The nanowires are clearly produced by the deposition of TiO2 particles on the inner wall of the template nanochannels.

Glioblastoma multiforme (GBM) is the most common primary malignant brain tumor and accounts for a significant proportion of all primary brain tumors. Median survival after treatment is around 15 months. Remodeling of N-glycans by the N-acetylglucosamine glycosyltransferase (MGAT5) regulates tumoral development. Here, perturbation of MGAT5 enzymatic activity by the small-molecule inhibitor 3-hydroxy-4,5-bis-benzyloxy-6-benzyloxymethyl-2-phenyl2-oxo-2λ5-[1,2]oxaphosphinane (PST3.1a) restrains GBM growth. In cell-based assays, it is demonstrated that PST3.1a alters the β1,6-GlcNAc N-glycans of GBM-initiating cells (GIC) by inhibiting MGAT5 enzymatic activity, resulting in the inhibition of TGFβR and FAK signaling associated with doublecortin (DCX) upregulation and increase oligodendrocyte lineage transcription factor 2 (OLIG2) expression. PST3.1a thus affects microtubule and microfilament integrity of GBM stem cells, leading to the inhibition of GIC proliferation, migration, invasiveness, and clonogenic capacities. Orthotopic graft models of GIC revealed that PST3.1a treatment leads to a drastic reduction of invasive and proliferative capacity and to an increase in overall survival relative to standard temozolomide therapy. Finally, bioinformatics analyses exposed that PST3.1a cytotoxic activity is positively correlated with the expression of genes of the epithelial–mesenchymal transition (EMT), while the expression of mitochondrial genes correlated negatively with cell sensitivity to the compound. These data demonstrate the relevance of targeting MGAT5, with a novel anti-invasive chemotherapy, to limit glioblastoma stem cell invasion. Mol Cancer Res; 15(10); 1376–87. ©2017 AACR.

Diffuse low grade diffuse gliomas (DLGGs), which represent approximately 15% of gliomas, are slow-growing tumors (3–4 mm of mean diameter per year) comprising oligodendrogliomas (OG) and astrocytoma (AG). These gliomas are clinically very heterogeneous and their prognosis somewhat unpredictable, making difficult definition of appropriate treatment. Although initially silent, diffuse low-grade gliomas progress into a more aggressive pathology, ultimately causing death of the patient. Their diffusive nature makes them difficult to fully remove by the surgical approach. Understanding the molecular pathways underlying DLGG dissemination would open new lines of treatments aiming at limiting their spread throughout the brain. However, the rare occurrence of these tumors, the difficulties in growing them in culture, and the quasi-absence of DLGG derived cell lines have definitely impeded the progress of knowledge on this topic. This explains the very few data available today on DLGG invasion and calls for more efforts from the scientific community to tackle this complex challenge. Here we present the in vitro/in vivo models and tools for studying DLGG migration and discuss the influence of location, genetics and molecular components driving their dissemination. We also consider data obtained on the migration of normal oligodendrocyte precursor cells as a possible source for guiding our understanding of glioma cell dissemination. Finally, we point out important issues to address in order to move forward on this topic.

Purpose – The purpose of this paper was to study the corrosion resistance of water-based sol-gel coatings containing titania nanoparticles doped with organic inhibitors for corrosion protection of AA2024 alloy. Design/methodology/approach – The coatings were obtained using tetraethylorthosilicate, 3-glycidoxypropyltrimethoxysilane, titanium (IV) tetrapropoxide and poly(ethylene imine) polymer as cross-linking agents. As corrosions inhibitors, 2-mercaptobenzoxazole and salicylaldoxime were incorporated into the sol-gel for the improvement of the corrosion resistance. The corrosion protection performance of coatings was studied using the potentiodynamic scan and the electrochemical impedance spectroscopy (EIS) methods. Atomic force microscopy was used to investigate surface morphology of the coatings. Findings – The results indicated that doping the sol-gel coatings with inhibitors leads to improvement of the corrosion protection. The comparison of doped coatings confirmed that corrosion protection performance of the sol-gel coatings doped with 2-mercaptobenzoxazole was better than for the sol-gel coatings doped with salicylaldoxime. Also the EIS results verified self-healing effects for the sol-gel coatings doped with 2-mercaptobenzoxazole. Originality/value – This paper indicates 2-mercaptobenzoxazole and salicylaldoxime can be added as corrosion inhibitors to sol-gel coatings to improve their corrosion protective properties for AA2024 alloy.

Chemoselective reaction of P˭C bond formation through the direct coupling of acetylenic esters with N-ethyl-N′-propionylurea or N-acetylthiourea in the presence of PPh3 have been realized under mil...

The new method is more convenient compared to alternative ways, because it needs shorter reaction times, allows straightforward product isolation, and provides higher yields.

Ionic liquids (ILs) are a class of salts with low melting points that can change the structure, function, and stability of proteins. Numerous researches have been focused on finding the ionic liquids that increase protein stability. In this work, efforts are made to study the effect of triethanolammonium butyrate (TEAB) ionic liquid on the structure and function of urate oxidase (UOX) using the combination of experimental and theoretical approaches. We treated urate oxidase enzyme in different TEAB concentrations. The volume percentages of ionic liquid in the solvent phase are about 1%, 5%, and 10%. TEAB ionic liquid shows a concentration-dependent effect on the activity of UOX and its activity decreased at high concentrations of TEAB. The use of 1% ionic liquid increased the enzymatic activity in comparison to naked UOX. This increase in the enzymatic activity may be attributed to the changes in the UOX conformation induced by TEAB. Also, an attempt was made to investigate the effect of TEAB ionic liquid on the conformation of UOX in the atomistic level using molecular dynamics (MD) simulations. We performed MD simulations of UOX enzyme in the presence of 1% ionic liquid. The MD results showed that the intramolecular hydrogen bond of UOX enzyme in the UOX/TEAB system increased. Also, theoretical results represent that the enzyme random coil converted to β-sheet and α-helix in the presence of TEAB may preserve the enzyme active site integrity and may be responsible for increasing its activity. The results of molecular docking indicate that the cationic and anionic parts of IL were surrounded by some polar and hydrophobic residues which represent that the binding phenomenon was mainly influenced by electrostatic and hydrophobic interactions. The lower Cα-RMSD and RMSF values indicate the more stabilization of UOX structure in the presence of 1% TEAB.

3,4-Dihydropyrimidin-2(1H)-thione derivatives undergo a chemoselective reaction with dialkylacetylenedicarboxylate in the presence of triphenylphosphine lead to the corresponding stable heterocyclic phosphorus ylides in good yield. In this method, a mixture of water/acetone as a green solvent was used. [Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the following free supplemental files: Additional figures]