Chromatography Scrutiny, Molecular Docking, Clarifying the Selectivities and the Mechanism of [3 + 2] Cycloloaddition Reaction between Linallol and Chlorobenzene-Nitrile-oxide.

Employing the Molecular Electron Density Theory, [3 + 2] cycloaddition processes between 4-chlorobenzenenitrileoxide and linalool, have been applied using the DFT/B3LYP/6-311(d,p) method, activation, reaction energies and the reactivity indices are calculated. In an investigation of conceptual DFT indices, LIL-1 will contribute to this reaction as a nucleophile, whilst NOX-2 will participate as an electrophile. This cyclization is regio, chemo and stereospecific, as demonstrated by the reaction and activation energies, in clear agreement with the experiment's results, in addition, ELF analysis revealed that the mechanism for this cycloaddition occurs in two steps. Furthermore, a docking study was conducted on the products studied, and the interaction with the protein protease COVID-19 (PDB ID: 6LU7), our results indicate that the presence of the -OH group increases the affinity of these products, moreover, adsorption study by chromatography was made on silica gel as support; our outcome reveals that the -OH group creates an intramolecular hydrogen bond in the product P2, while in the product P3 will create a hydrogen bond with the silica gel which makes the two products P2 and P3 are very easy to separate by chromatography, this result is in excellent agreement with the Rf retention value. The study might provide a fundamental for developing natural anti-viral compound in promoting human health.

Computational Study of New Small Molecules based Thiophene as Donor Materials for Bulk Heterojunction Photovoltaic Cells.

In this research work, we study the structural, optical, electronic, and photovoltaic properties of eight thiophene-based π-conjugated organic molecules using quantum methods namely time-dependent density functional theory. In particular, we identify the relationships between the chemical structure of these π-conjugated organic molecules and their optoelectronic properties. Moreover, we calculate and compare the highest energy occupied molecular orbital and lowest energy unoccupied molecular orbital energy levels of these compounds which act as donor with the ones of the acceptorphenyl-C61-butyric acid methyl ester. As a result, the investigated molecules show a low band gap, suitable open-circuit voltage and appropriate alignment energy level between the engineered donor molecules and the acceptor phenyl-C61-butyric acid methyl ester. This theoretical study shows that these new molecules have potential properties for the development of organic heterojunction photovoltaic cells.

[Total knee replacement without patellar resurfacing: about 60 cases]. / Prothèse totale du genou sans resurfaçage de la rotule: à propos de 60 cas.

During total knee replacement, one of the main problems of surgeon is to choose between preservation of the patella or resurfacing with prosthetic replacement of patellar cartilage. This issue continues to be a subject of controversy within the orthopaedic community. There is no clear consensus on the optimal approach to the patella during total knee arthroplasty (TKA). We conducted a retrospective study of 60 patients undergoing total knee replacement without resurfacing of the patella. These procedures were performed in the Department of Orthopedics and Trauma-Surgery (B) at the University Hospital Hassan II, Fez, since January 2009 to December 2015. The average age of patients was 58 years, ranging between 20 years and 80 years. Female prevalence was clear (41 women, 72% and 16 men, 28%). Clinically, the majority of patients had mechanical pain and all patients underwent clinical and radiological examination. The IKS score was used to assess knee condition before and after surgery. The surgical procedure was based on total knee arthroplasty without patellar resurfacing. Post-operative complications included 7 cases of anterior knee pain, 2 cases of infection of superficial skin treated with appropriate antibiotic therapy and 3 cases of stiffness. No cases of hematoma, phlebitis or sepsis were reported. Clinical results after a follow-up period of 18 months were satisfactory. Given these results, the preservation of the patella allowed for very satisfactory middle term results regarding pain relief and restoration of function. In addition, potential complications of patella prosthesis were avoided. One limitation of these replacements without resurfacing is the occurrence, or sometimes the persistence, of anterior knee pain; hence the need for secondary resurfacing. Current data from the literature show that there is no consensus on the approach to the patella during total knee replacement. Finally, patella resurfacing is an approach that the surgeon should choose on the basis of current data. This said, the debate can continue focusing on a single issue: which approach should be used to the patella.

[Spontaneous simultaneous bilateral rupture of the quadriceps tendon in patients with parathyroid adenoma: case report and literature review]. / Rupture bilatérale spontanée et simultanée du tendon quadricipital dans l'adénome parathyroïdien: à propos d'un cas et revue de la littérature.

Spontaneous as well as bilateral and simultaneous rupture of the quadriceps tendon is rare. We report the case of a 53-year old patient followed up for parathyroid adenoma complicated by renal failure, admitted for spontaneous bilateral rupture of the two quadriceps tendons. He underwent surgical repair allowing him to maintain his autonomy.

[Digital replantation, results and complications: study of a series of 18 cases]. / La replantation digitale, résultats et complications: étude d'une série de 18 cas.

Digital amputations are frequent injuries, the majority of them are caused by workplace accidents. Microsurgical techniques are an alternative option to repair these amputations. This study aims to report our experience in digital replantation through the examination of 18 cases. We conducted a retrospective study of 14 patients with total or subtotal fingers amputation between June 2013 and January 2015. All unidigital and multidigital replantations downstream of the distal insertion of superficial flexor tendon as well as all digital replantations upstream of the distal insertion of superficial flexor tendon were included in our study. These patients underwent surgery according to conventional digital replantation procedures. Five replantations were secondarily regularized. Among the 18 replantations, eight digital replantions evolved favorably since replantation helped restore active range of motion and passive range of motion of the finger operated without revision surgery and early and late secondary complication. In our study we achieved satisfactory results despite the difficult conditions including the initial state of the amputated finger and its delayed management. The development and mastery of microsurgery has helped change the prognosis of these amputations with serious functional and psychological consequences; the results of our study are encouraging with reference to the implementation of the SOS Hand Service in Morocco.

ACETABULAR COMPONENT ORIENTATION IN TOTAL HIP ARTHROPLASTY: THE ROLE OF ACETABULAR TRANSVERSE LIGAMENT

ABSTRACT Objective: The aim of our study is to present the benefit of using the transvers acetabular ligament for intraoperative determination of the anteversion of acetabular component. Methods: Twenty-one total hip arthroplasties were performed. The transverse acetabular ligament was identified and used as a guide to position the acetabular component. Results: The mean anteversion angle was 16.9. None of the patients studied sustained a postoperative dislocation during this short follow-up period. Conclusion: We conclude from this preliminary study that the transverse acetabular ligament can aid positioning of the acetabular component of a THR. It defines the version of the acetabular component without the need for external instrumentation, and is independent of the position of the patient. Level of Evidence IV; Prospective Study.

ACETABULAR COMPONENT ORIENTATION IN TOTAL HIP ARTHROPLASTY: THE ROLE OF ACETABULAR TRANSVERSE LIGAMENT.

OBJECTIVE: The aim of our study is to present the benefit of using the transvers acetabular ligament for intraoperative determination of the anteversion of acetabular component. METHODS: Twenty-one total hip arthroplasties were performed. The transverse acetabular ligament was identified and used as a guide to position the acetabular component. RESULTS: The mean anteversion angle was 16.9. None of the patients studied sustained a postoperative dislocation during this short follow-up period. CONCLUSION: We conclude from this preliminary study that the transverse acetabular ligament can aid positioning of the acetabular component of a THR. It defines the version of the acetabular component without the need for external instrumentation, and is independent of the position of the patient. Level of Evidence IV; Prospective Study.

DC-SIGN, but not sDC-SIGN, can modulate IL-2 production from PMA- and anti-CD3-stimulated primary human CD4 T cells.

Dendritic cell (DC)-specific intercellular cell adhesion molecule-3 (ICAM-3)-grabbing non-integrin (DC-SIGN) is expressed on the surface of DCs and specialized macrophages and can support T cell proliferation. Antibody-mediated co-ligation of CD3 and ICAM-3, the ligand for both DC-SIGN and leukocyte function-associated antigen-1, leads to T cell activation. Therefore, we tested to see whether DC-SIGN or a splice variant of dendritic cell-specific intercellular cell adhesion molecule-3-grabbing non-integrin (sDC-SIGN) can co-stimulate primary human T cells. The sDC-SIGN lacking the transmembrane domain encoded by exon 3 localizes to the cytoplasm of cells and is not secreted. Both B7 and DC-SIGN co-stimulated phorbol myristate acetate-stimulated CD4+ cells as compared with controls. However, unlike B7, both DC-SIGN and sDC-SIGN failed to co-stimulate CD4+ T cells treated with sub-optimal amounts of anti-CD3 (2 microg ml(-1)) as defined by a lack of CD69 and CD25 up-regulation, cell division and cytokine secretion. Instead, DC-SIGN, and not sDC-SIGN, induced a small but consistent down-regulation of IL-2 production by these CD4+ T cells. In contrast, DC-SIGN in the presence of 30 mug ml(-1) of anti-CD3 modestly up-regulated cytokine production as compared with control. These results suggest that DC-SIGN can differentially modulate T cell stimulation.