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Despite the fact that B and Al belong to the same group 13 elements, the B62− cluster prefers the planar D2h geometry, whereas Al62− favours the Oh structure. In this work, we analyse the origin of the relative stability of D2h and Oh forms in these clusters by means of energy decomposition analysis based on the turn-upside-down approach. Our results show that what causes the different trends observed is the orbital interaction term, which combined with the electrostatic component do (Al62− and Ga62−) or do not (B62−) compensate the higher Pauli repulsion of the Oh form. Analysing the orbital interaction term in more detail, we find that the preference of B62− for the planar D2h form has to be attributed to two particular molecular orbital interactions. Our results are in line with a dominant delocalisation force in Al clusters and the preference for more localised bonding in B metal clusters. For mixed clusters, we have found that those with more than two B atoms prefer the planar structure for the same reasons as for B62−. [ABSTRACT FROM AUTHOR]

It is generally observed that quintessential aromatic compounds have delocalised electronic configurations that are of closed-shells or open-shells half-filled with the same spin electrons. Guided by this property, we search for aromatic octahedral clusters of the type X6q (X = Li–C and Be–Si, q = −2 to +4) in 2S+1A1g electronic states with spin multiplicities ranging from the singlet to the septet. With some exceptions, we find that closed-shells or open-shells half-filled with same spin electron systems have large multicentre indices and negative NICS values that are characteristic patterns of aromatic compounds. Our results confirm the existence of octahedral aromaticity but do not allow us to define a general rule for octahedral aromaticity because the ordering of molecular orbitals does not remain the same for different octahedral clusters. [ABSTRACT FROM AUTHOR]

Abstract: Aryl–heteroaryl and heteroaryl–heteroaryl compounds are obtained through the Suzuki–Miyaura cross-coupling reactions between diazonium salts and potassium trifluoroborates using PdCl2(CH3CN)2 as the catalyst in water and in the absence of any additive, ligand or base. In addition, the same mild catalytic system is effective for the Matsuda–Heck reaction between several monoolefins with aryldiazonium salts. [Copyright &y& Elsevier]

Density functional theory calculationsof the relative stabilitiesof the ortho, meta, and para MClY(XC4H4)(PH3)2heterometallabenzenes (M = Rh, Ir; X = N, P;Y = Cl and M = Ru, Os; X = N, P; Y = CO) have been carried out. Theortho isomer is the most stable for X = P, irrespective of the metalM. For X = N and M = Ir, Rh the meta is the lowest-lying isomer, whereasfor M = Ru, Os the ortho and meta isomers are almost degenerate. Theelectronic structure and chemical bonding have been investigated withenergy decomposition analyses of the interaction energy between variousfragments, to discuss the origin of the differences observed. Thevalues of the multicenter index of aromaticity and nucleus-independentchemical shifts indicate that the heterometallabenzenes studied shouldbe classified as aromatic or slightly aromatic. [ABSTRACT FROM AUTHOR]

Small bowel adenocarcinoma is a rare but increasing disease. It poses both a diagnostic and therapeutic challange. Small bowel adenocarcinoma is a rare cause of small bowel obstruction. We present the case of a patient admitted to our emergency department for a bowel obstruction due to a mass of the jejunum and whose anatomopathological diagnosis was adenocarcinoma. It is a 62-year-old woman with unparticular history, admitted to the emergency of visceral surgery of Ibn Rochd University Hospital for subocclusive syndrome evolving for one year, with early postprandial vomiting becoming stenosing two months ago. The abdominal CT scan showed thickening jejunal wall of 46 mm with upstream distension. She underwent a segmental bowel resection of 50 cm of small bowel with 3 cm stenotic mass located at 40 cm from the duodenojejunal angle. The pathophysiology revealed an invasive liberkhunian adenocarcinoma. The postoperative follow-up was simple, feeding allowed at D4 with discharge allowed at D6 and functional improvement at the time of the control performed three months after the intervention. Small bowel adenocarcinoma is rare and represents only 1–3% of all gastrointestinal cancers. The incidence of SBA is 24 to 66 times lower than that of colorectal cancer (CRC). Due to its non-specific clinical manifestation and less accessible location, SBA is diagnosed at an advanced stage, and often at specimen analysis. The treatment is resection and the overall survival is increased when diagnostic is early made. Small bowel adenocarcinoma is a rare but increasing cause of gastrointestinal malignancy, being both a diagnostic and therapeutic challenge. In front of the occlusive syndrome of small bowel appearance, adenocarcinoma must be ruled out. • Small bowel adenocarcinoma is rare and has a poor overall survival. • Small bowel obstruction caused by adenocarcinoma is a rare clinical situation. • The diagnosis and management of small bowel adenocarcinoma is a challenge to the physicians. • The R0 resection with complete lymph node dissection are the cornerstone of the treatment. [ABSTRACT FROM AUTHOR]

This work proposes a viable remediation method based on the use of natural organic substances (NOSs) that characterize the Mediterranean region to improve the ecological system. A series of experiments, including variable conditions, such as temperature, pH, contact time, and pesticide concentration, were performed to demonstrate the efficiency of endosulfan sulfate removal from water by NOSs. Experimental results showed that the pH and temperature of pesticide solutions negatively affect the adsorption process. The maximum adsorption capacity for a specific initial concentration of endosulfan sulfate (0.5 µg/L) was achieved with Origanuni compacturn (75%), followed by Cistus ladaniferus and Raphanus raphanistrum, (72 and 68%, respectively). The adsorption tests gave very satisfying results and point to the possible application of these supports as a remediation technique to prevent pesticide contamination of aquatic ecosystems. [ABSTRACT FROM AUTHOR]

Groundwater pollution from agricultural practices is a serious environmental and health problem. In this work, stir bar sorptive extraction (SBSE) and gas chromatography (GC) with mass spectrometry (MS) detection were used to determine phytosanitary products in groundwater samples from the Loukkos perimeter in Northwest Morocco. Some pesticides--in particular, endosulfan and its metabolites--were found in water destined for human consumption. Analyses of soil samples were also carried out, and the results showed endosulfan sulfate and endosulfan ether in abundance. Endosulfan sulfate leaching was also performed in undisturbed soil columns to obtain more information on the vertical migration of pesticides used in the perimeter. The kinetic study showed a high recovery rate (73%) after 10 days of experimental work. Water Environ. Res., 79, 2578 (2007). [ABSTRACT FROM AUTHOR]

Keywords: aromaticity; DFT calculations; luminescence; main-group elements; reaction mechanisms EN aromaticity DFT calculations luminescence main-group elements reaction mechanisms 21598 21598 1 09/22/21 20210927 NES 210927 B The ground- and excited-state b properties of a diazadiboretidine (DADBT) derivative, an isoelectronic heterocyclic analogue of cyclobutadiene, are reported by Henrik Ottosson, Hiromi Nakai, Tadaaki Ikoma, Takanori Fukushima, and co-workers in their Research Article on page 21817. Aromaticity, DFT calculations, luminescence, main-group elements, reaction mechanisms Inside Cover: An Element-Substituted Cyclobutadiene Exhibiting High-Energy Blue Phosphorescence (Angew. [Extracted from the article]

Keywords: aromaticity; DFT calculations; luminescence; main-group elements; reaction mechanisms EN aromaticity DFT calculations luminescence main-group elements reaction mechanisms 21766 21766 1 09/22/21 20210927 NES 210927 B Die Grund- und Anregungszustandseigenschaften b eines Diazadiboretidin(DADBT)-Derivats sind Gegenstand des Forschungsartikels von Henrik Ottosson, Hiromi Nakai, Tadaaki Ikoma, Takanori Fukushima et al. auf S. 21988. Bemerkenswert ist, dass das DADBT-Derivat in Lösung eine blaue Phosphoreszenz zeigt, die einen Einblick in die photophysikalischen Eigenschaften heterozyklischer -Systeme gibt. Innentitelbild: An Element-Substituted Cyclobutadiene Exhibiting High-Energy Blue Phosphorescence (Angew. [Extracted from the article]

Rectovaginal fistula (RVF) is an abnormal communication between the vagina and the rectum. RVFs caused by Bartholin's gland infection are very rare. We present the case of recurrent rectovaginal fistula complicating a bartholin's gland abcess successfully treated with a Martius flap. The aim of this work is to demonstrate the possibility of complication of bartholin's gland infection by a rectovaginal fistula and the efficacy of Martius flap procedure for recurrent RVF of the low third part of the vagina. It is a 30-year-old woman admitted to our department for recurrent RVF due to an abscess of the Bartholin's glands. She was previously treated with a vaginal advancement flap which failed with persistence of the fistula and its symptoms. The patient underwent a RVF repair by Martius flap with complete healing of the fistula. Rectovaginal fistula is a complex pathology with psycho-social, individual, family, religious and ethno-environmental repercussions. Its main aetiologies are obstetric, rectal surgery. Several techniques including the vaginal or anal advancement flap and the Martius flap are used for the treatment of rectovaginal fistulas. For recurrent fistulas, the Martius flap seems to be the most indicated with better results. Rectovaginal fistula remain a challenge for surgeons and have major psycho-socio-economic repercussions for the patient. The complication of Bartholin's gland infection by rectovaginal fistula is rare. The Martius flap technique is the method of choice for recurrent rectovaginal fistulas of the lower third of the vagina or in association with other pathologies. • Recovaginal fistula is a challenge for surgeons. • The rectovaginale fistula due to Bartholin's gland abcess is very rare • Care must be taken during the management of this pathology which affetcs 2% of women during their life for avoiding that complication • The Martius flap is the method of choice for the treatment of rectovaginale fistula of the low third inferior part of the vagina [ABSTRACT FROM AUTHOR]

Post-traumatic diaphragmatic rupture is a lesion of variable severity. It is a rare and difficult to diagnose pathology, it has been found in 0.4% of all traumatized patients and in 1.9% of blunt traumas. It can be associated with abdominal andthoracic lesions, particularly cardiac, which can be life-threatening. Our work is a retrospective case report with a descriptive aim concerning a patient operated for a post-traumatic diaphragmatic rupture within the department of general surgery of CHU Ibn Rochd Casablanca. This work has been reported in line with the SCARE 2020 criteria (17). A 60-year-old patient was admitted to the visceral surgical emergency department following a work accident (crushing between two carts) causing a thoraco-abdominal impact point trauma without initial loss of consciousness, nor externalized digestive hemorrhage or associated signs, but with a general condition alteration. The patient was conscious, dyspneic with a blood pressure of 100/50 mmHg and afebrile. Physical examination showed diffuse abdominal sensibility. The thoraco-abdomino-pelvic CT scan revealed the presence of a left thoracic hernia with gastric, colic and epiploic contents through a lateral defect of the left diaphragmatic dome. The decision was to directly send the patient to the operating room. Exploration found a large left diaphragmatic breach of 20 cm, a denudation of the pericardia, a medium-abundant hemoperitoneum and a hematoma of the right mesocolon. The procedure consisted of right hemicolectomy with ileocolic anastomosis, treatment of a diaphragmatic breach with a 2-silk raphia, thoracic drainage with a Joly drain, pericardial drainage with a Joly drain, pre-anastomotic drainage with 2 delbet slides, drainage of the Douglas and left subthreshold with 2 Salem catheters. The post-operative follow-up was simple. Diaphragmatic rupture is a rare and difficult to diagnose condition. Traumatic diaphragmatic rupture (TDR) was found in 0.4% of all traumatized patients and in 1.9% of blunt trauma. Associated lesions of the spleen, liver and/or lungs were found in more than 30% of cases, with an overall mortality rate of 26.8% (1). Pericardial rupture following blunt chest trauma is rare and associated with a high mortality rate ranging from 30% to 64% (9). The physiopathology of this type of injury is not well understood, but the most accepted hypothesis describes an increase in intra-abdominal pressure due to a blunt creating a sufficiently high-pressure gradient between the chest and the abdomen to cause a diaphragmatic rupture. The common clinical symptoms of a diaphragmatic rupture are a marked respiratory distress and diffuse abdominal pain but it can be asymptomatic. Medical imaging exams visualize the ascended organs but it's more difficult to visualize the rupture itself. The chest X-ray is currently the first examination to be requested (4) and also helps in the diagnosis of injuries and diaphragm rupture (13). Surgical treatment includes the reduction of any visceral hernia, repair of the diaphragm and restoration of circulation, breathing and digestive functions. Laparotomy is generally used because of the complete exploration of the abdominal viscera, although it is easier to reduce herniated tissue and repair the diaphragm. Diaphragmatic rupture with denudation of the heart is rare with poor prognosis and requires emergency surgery with close postoperative monitoring in the intensive care setting. Post-traumatic diaphragmatic rupture is a lesion of variable severity. It is a rare and difficult to diagnose pathology, it has been found in 0.4% of all traumatized patients and in 1.9% of blunt traumas. The lesions are more frequent in the left diaphragmatic dome compared to the right one, and exceptionally bilateral. Pericardial rupture following blunt chest trauma is rare and associated to a high mortality rate. It is often unrecognized and goes unnoticed in the acute phase. The most common clinical symptoms of diaphragmatic ruptures are respiratory distress and diffuse abdominal pain, as it can be asymptomatic. Its diagnosis is essentially radiological using CT scan, and requires emergency surgical treatment as soon as the diagnosis is suspected, in order to avoid the dreaded complications. Traumatic diaphragmatic rupture remains a diagnostic and therapeutic challenge. We report the case of a patient who presented a post-traumatic diaphragmatic rupture with pericardial damage operated in the visceral emergency department at the Ibn Rochd Hospital c in Casablanca, Morocco. • Pericardial rupture following blunt chest trauma is associated with a high mortality rate • It requires emergency surgical treatment • Intra-abdominal pressure due to a blunt creating a sufficiently high-pressure gradient to cause a diaphragmatic rupture [ABSTRACT FROM AUTHOR]

• Lactococcus lactis is a rare cause of liver abscesses. • Lactococcus lactis ssp lactis can cause liver abcesses in immunocompetent people. • The exposition to unpasteurized dairy products may lead to liver abcess due to L. lactis ssp lactis. • Young and immunocompetent people can develop liver abscesses, even for bacteria considered as non-pathogenic. • Antibiotics and percutaneous drainage are the first line for treatment of liver abscesses and have improved the death rate. We present a liver abscess due to Lactococcus lactis ssp lactis. It is a 27-year-old male patient without history who presented the right hypochondrium pain over 10 days. The physical examination noted right hypochondrium pain and hépatomegally. The ultrasound showed hepatomegaly with liver abcess for the segments IV and V as well as VII and VIII measuring 13 × 8 cm and 7.6 × 4.3 cm respectively. A computed tomography (CT) revealed an abscess for segments IV and V and VI and VII measuring respectively 107 × 89 mm and 55 × 50 mm. He underwent a surgical drainage after a radiologic drainage and antibiotherapy failure with success. Liver abscesses are rare; affect men over 60 years with co-morbidities and those due to L. Lactis ssp lactis are exceptional. Their prevalence is 0.29–1.47% in series of autopsies and 0.008 to 0.16% in hospitalized patients. The most frequently found germs are gram-negative bacilli (40–60%) and anaerobic bacteria (40–50%). Ultrasound and CT scan make the diagnosis in 90% of cases and orients to the etiology. Percutaneous drainage is the first line for treatment, surgical drainage is reserved for percutaneous drainage failures. Liver abscess due to Lactococcus lactis ssp lactis is very rare. The clinic, diagnostic methods and treatment of this abscess are identical to other abscesses due to other etiologies. The antibiotics and percutaneous drainage of abscesses have improved the death rate from 40% to 10%–25%. [ABSTRACT FROM AUTHOR]

• Intestinal endometriosis as a cause of intestinal obstruction is often a diagnostic challenge mimicking a wide spectrum of diseases. • Its diagnosis is still very difficult. • The treatment of intestinal endometriosis is in most cases surgical. • The diagnosis of endometriosis is histological. The gastrointestinal tract is the most common site of extra pelvic endometriosis, with the rectum and sigmoid colon being the most frequently affected areas. Its diagnosis is still very difficult, especially when it manifests itself as an acute occlusion. We report the case of a patient admitted to the emergency room for an occlusive syndrome on a sigmoid process and who was operated on with colorectal resection and it was the anatomopathological examination that led to the diagnosis of endometriosis. [ABSTRACT FROM AUTHOR]

Correction for ‘Planar vs. three-dimensional X62−, X2Y42−, and X3Y32− (X, Y = B, Al, Ga) metal clusters: an analysis of their relative energies through the turn-upside-down approach by Ouissam El Bakouri et al., Phys. Chem. Chem. Phys., 2016, 18, 21102–21110. [ABSTRACT FROM AUTHOR]