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However, the statistics for contacts involving the N-finger suggest higher maintenance of this activity at the dimer. Docking analyses suggest that the ability to vary the active site width can be important to improve the access of the ligand to the active site in different ways. So, we carry out a multiconformational virtual screening with different ligand bases. The results point to the importance of taking into account the protein conformational multiplicity for new promissors anti MCoV2pro ligands. We hope these results will be useful in prospecting, repurposing and/or designing new anti SARS-CoV-2 drugs.Communicated by Ramaswamy H. Sarma.In commemorating Robbie Duschinsky's publication of Cornerstones of Attachment Research, I have decided that I could best serve this special issue by revisiting the founder of attachment theory, John Bowlby, and portraying him as a man above and beyond the founder of attachment theory based on my personal and intellectual relationship with him. The goal is to provide the reader, even those who were fortunate enough to have met him, an opportunity to reminisce or visualize Bowlby as husband, friend, mentor, and scholar. Thus, leaving the intellectual contributions to other scholars in this issue, this paper takes, although brief, the form of an emotional and personal memoir of John Bowlby.

Left ventricular thrombus (LVT) is a well-recognised complication of ischaemic and non-ischaemic heart disease. The incidence of this complication has drastically reduced due to reperfusion therapies. Current guidelines recommend using warfarin for at least three months. But, direct-acting oral anticoagulants (DOACs) are increasingly used as an off-label alternative to vitamin K antagonists (VKA) to treat LVT. In this article, we will review the use of DOACs for the treatment of LVT.

We conducted a literature search for published case series, meta-analyses, and review articles in four electronic databases PubMed, EMBASE, OVID, and Google Scholar from inception until 1 August 2020. Fifteen articles including meta-analyses, review articles and case series were included. A total of 292 patients with LVT from 7 articles are analysed. The majority (

 = 110) were treated with rivaroxaban followed by apixaban (

 = 86), and warfarin (60). 26 patients from 292 were not included in the analysis. learn more Of the 206 patients on DOACs, 180 (87.3%) had resolution of LVT. 22 had persistent LVT. Six patients had reported bleeding. Three patients had gastrointestinal (GI) bleeding. One patient had pulmonary haemorrhage while one other had epistaxis requiring blood transfusion. Five of six patients who had bleeding were on either single or dual antiplatelet therapy in addition to DOAC. One patient had reported a cardioembolic stroke while on a DOAC. Median follow-up duration varied from one month to two years.

Based on our review, DOACs are likely to be at least as effective and safer as VKA for stroke prevention and thrombus resolution in patients with LVT.

Based on our review, DOACs are likely to be at least as effective and safer as VKA for stroke prevention and thrombus resolution in patients with LVT.

Iranian asylum seekers are amongst the highest number of boat arrivals to Australia who have been subject to compulsory detention. Women face more health-threatening problems rather than men in detention, yet, remain understudied in health research. This study aimed to inform healthcare providers about the experiences of living in immigration detentions, which might affect asylum seekers' mental health.

A qualitative study using semi-structured interviews and thematic analysis.

17 participants shared their experiences Living in a prison-like environment was a punishment for their boat arrival and violated their privacy and dignity. In contrast, a sense of security, free access to healthcare services, and building social networks were positive aspects of short-term detention.

To prevent further trauma, living conditions in detention must be conducive to promoting coping and adjustment. The length of detention should be minimised and limited to preparing asylum seekers for facing a new socio-cultural environment.

To prevent further trauma, living conditions in detention must be conducive to promoting coping and adjustment. The length of detention should be minimised and limited to preparing asylum seekers for facing a new socio-cultural environment.A rapid, simple, precise and accurate high performance liquid chromatographic (HPLC) analytical method was developed and validated for the determination of the active substances (a.s.) azoxystrobin, topramezone, acetamiprid, fluometuron and folpet in their respective commercially available formulations. The method was used for the analysis of samples under the frame of the national quality control program of plant protection products in the Greek market. Chromatographic separation of the active substances from additives and co-formulants is achieved using isocratic elution with acetonitrile and 0.1% phosphoric acid solution (6040 v/v) at a flow rate of 0.4 mL min-1 on a C18 monolithic column (Chromolith Performance-RP18e 100 × 4.6 mm) and UV detection at 230 nm. Validation parameters of the method fulfilled acceptability criteria. Recovery of all individual compounds was in the range 97.8-100.9%. Precision expressed as relative standard deviation was lower than the theoretical values of the modified Horwitz equation. Correlation coefficients of linearity of response were better than 0.999. The benefits of the proposed method are significant reduction in analysis time and total cost since all analytes were determined with the same extraction procedures and chromatographic system. Analysis of real samples for all active ingredients confirmed fitness for purpose of the suggested method.Theoretical calculations have been performed to study the structures of L-alanine and its zwitterionic form in the gas phase and in solution. The energies and the vibrational frequencies of the L-alanine in both neutral and zwitterionic form have been calculated using HF, MP2, CCSD and density functional theory (DFT) B3LYP hybrid exchange correlation functional with different basis sets. The conductor-like solvation model of the polarizable continuum model (CPCM) has been used to compute energies, geometric structures and harmonic frequencies in solution for the L-alanine and its zwitterionic form. We have shown how the choice of the basis sets is important to improve the accuracy of the model theory. We have also observed significant changes in frequencies when L-alanine and its zwitterionic form are in solution. Classical Molecular dynamic simulation has also been conducted to get an idea about the organization of water molecules around alanine's hydrophilic sites. The results indicated that water molecules seems to prefer keeping a structure formed by hydrogen bonded water-water molecules around the COO- site rather than forming N+-H…Ow hydrogen bond.

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