Palladium anchored to BisPyP@bilayer-SiO2@NMP organic-inorganic hybrid as an efficient and recoverable novel nanocatalyst in suzuki and stille C-C coupling reactions.

The palladium anchored to BisPyP@bilayer-SiO2@NMP organic-inorganic hybrid was employed as an effective and recyclable organometallic catalyst in Suzuki and Stille C-C coupling reactions. The structure of this magnetic nanocatalyst was determined using various techniques such as SEM, TEM, FT-IR, EDS, ICP-OES, VSM, N2 adsorption-desorption isotherms, XRD, and TGA. In both of the mentioned coupling paths, the yields of the products were very favorable and ranged from 90 to 98%. Also, they had significant features compared to previous reports, such as very short reaction time (5-15 and 7-20 min respectively in the Suzuki and Stille reactions), easy work-up, broad substrate scope, ease of separation of the catalyst using a magnet, suitable reproducibility of the catalyst in 6 runs, heterogeneous nature of the catalyst and not washing it during consecutive runs with confirmation of hot filtration and ICP-OES methods.

Multi­objective optimization of nitrile rubber and thermosets modified bituminous mix using desirability approach.

A variety of materials, including waste and rubber products, have been used in road construction to improve the performance of bituminous pavements. The present investigation is focused on modifying bitumen using Nitrile rubber (NBR) with different thermosets namely Bakelite (B), Furan Resin (FR), and Epoxy resin (ER). The emphasis of the problem is to arrive at a mix to achieve maximum Marshall Stability (MS) and minimum flow value of Modified Bituminous Concrete. Taguchi DOE technique has been used to design the experiments using Minitab software. Analysis of Variance (ANOVA) and Multi-objective optimization has been performed using the desirability approach in Design expert software. ANOVA analysis predicts that NBR, B, ER, and FR are the major significant parameters for Marshall Stability (MS) and Flow Value (FV). It has also been analyzed from SEM and EDS images of modified bitumen that sample S1 (5% NBR, 10% Bakelite, 10% FR, 2.5% ER) has a fine surface with small pores as compared to sample S34 (10% NBR, 0% Bakelite 10% FR, 2.5% ER). Multi-optimization results suggested the optimal conditions are achieved at NBR-7.6%, Bakelite-4.8%, FR-2.5%, and ER-2.6% for MS and FV. The maximum MS is 14.84 KN and the minimum FV is 2.84 mm is obtained using optimum conditions. To validate the optimization results, the confirmation runs have been conducted, and obtained results are within 5% error with optimal conditions.

WCK 1152, WCK 1153: Discovery and structure activity relationship for the treatment of resistant pneumococcal and staphylococcal respiratory infections.

Novel antibacterial agents needed constantly to counter the ever emergent resistance development to commercially available drugs; one of the effective synthetic antibacterial classes is fluoroquinolone (FQ). This study includes structure activity relationship based design and synthesis of novel fluoroquinolone molecules active against resistant pathogens bearing mutations of DNA gyrase and/or topoisomerase IV which also express efflux pumps. Here, series of compounds were prepared by treating 1-cyclopropyl-6,7-difluoro-8-methoxy-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid as a core with various 4-substituted-3,3-dialkyl piperidines as side chains, through conventional synthetic approaches. Subsequently, antibacterial activities of these fluoroquinolones were examined against Streptococcus pneumoniae, SPN 5844 (Moxi resistant DNA gyrase and topo IV mutant) and SPN 706 (FQ efflux positive). The current manuscript covers >50 examples of fluoroquinolone NCEs, amongst 20 NCEs have shown MIC in the range of (0.4 to >6.25 µg/ml) for SPN 5844 and (0.1-12.5 µg/ml) for SPN 706 strains. During the course of this study; WCK 919, comprising two chiral isomers; WCK 1152 and WCK 1153 were emerged as lead among the different series synthesized. Advance studies suggested either WCK 1152 or WCK 1153 are the worthy candidates for further clinical developments for respiratory infections caused by resistant pneumococci and staphylococci. However, on the basis of in house preclinical work, WCK 1152 had been selected for phase-1 domestic clinical trials.

Discovery of New Hydroxyethylamine Analogs against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation, and Structure-Activity Relationship Studies.

The novel coronavirus, SARS-CoV-2, has caused a recent pandemic called COVID-19 and a severe health threat around the world. In the current situation, the virus is rapidly spreading worldwide, and the discovery of a vaccine and potential therapeutics are critically essential. The crystal structure for the main protease (Mpro) of SARS-CoV-2, 3-chymotrypsin-like cysteine protease (3CLpro), was recently made available and is considerably similar to the previously reported SARS-CoV. Due to its essentiality in viral replication, it represents a potential drug target. Herein, a computer-aided drug design (CADD) approach was implemented for the initial screening of 13 approved antiviral drugs. Molecular docking of 13 antivirals against the 3-chymotrypsin-like cysteine protease (3CLpro) enzyme was accomplished, and indinavir was described as a lead drug with a docking score of -8.824 and a XP Gscore of -9.466 kcal/mol. Indinavir possesses an important pharmacophore, hydroxyethylamine (HEA), and thus, a new library of HEA compounds (>2500) was subjected to virtual screening that led to 25 hits with a docking score more than indinavir. Exclusively, compound 16 with a docking score of -8.955 adhered to drug-like parameters, and the structure-activity relationship (SAR) analysis was demonstrated to highlight the importance of chemical scaffolds therein. Molecular dynamics (MD) simulation analysis performed at 100 ns supported the stability of 16 within the binding pocket. Largely, our results supported that this novel compound 16 binds with domains I and II, and the domain II-III linker of the 3CLpro protein, suggesting its suitability as a strong candidate for therapeutic discovery against COVID-19.

A Rare Case of Jejunal Atresia Due to Intrauterine Intussusception.

Intestinal atresia is generally caused by intrauterine vascular obstructions involving mesenteric vessels. Intrauterine intussusceptions (IUI) are one of these disruptive events. Intestinal intussusceptions affects children commonly between 3 months and 3 years of age, but it rarely affects in intrauterine life. The relationship between intrauterine intussusception and intestinal atresia has been demonstrated by few cases in literature, suggesting intrauterine intussusception as a rare cause of intestinal atresia. We report a 7-day-old full term neonate presenting with intrauterine intussusceptions (jejuno-jejunal) resulting in jejunal atresia.

Intussusception in Children with a Pathological Appendix Acting as a "Lead Point" - A Series of 3 Cases.

Meckel's diverticulum is commonest lead point for intussusception in children. Appendix is part of the intusssusception of the commonest ileocolic type but appendix as lead point for intussusception is rare. We report a series of 3 cases of intussusception in children, wherein a pathological appendix was the lead point. We would like to propose that more likely a pathological appendix, acts as a lead point leading to an appendico-caeco-colic intussusception rather than a normal appendix.

A rare case report of amlodipine-induced gingival enlargement and review of its pathogenesis.

Gingival enlargement is a common clinical feature of gingival and periodontal diseases. It is an unwanted side effect of certain systemic drugs given for nondental treatment. It is being reported with three main groups of drugs like calcium channel blockers (CCBs), immunosuppressants, and anticonvulsants. Among calcium channel blockers, nifedipine causes gingival hyperplasia in about 10% of patients, whereas the incidence of amlodipine-, a third generation calcium channel blocker, induced gingival hyperplasia is very limited. There are very few reports of amlodipine-induced gingival enlargement at a dose of 5 mg. We report a case of amlodipine-induced gingival enlargement in a 45-year-old hypertensive patient taking amlodipine at a dose of 5 mg.

Squamous odontogenic tumor with unusual localization and appearance: a rare case report.

Squamous odontogenic tumor is a rare benign neoplasm and may affect multiple sites in the mouth. SOT was first described by Pullon et al. (1975). Since then, there have been less than 50 reported cases. The tumor is often asymptomatic, although it can present with symptoms of pain and tooth mobility. We report a case of SOT occurring in a 26-year-old female in the anterior mandible with unusual localization and appearance.

Gastric teratoma in an infant: a rare case report and discussion.

Gastric teratoma is a rare tumor, accounting for less than 1 % of all teratomas in infants & children. To date, only about 102 cases have been reported in the literature. A 10 month old infant was brought with a history of upper abdominal mass which was otherwise asymptomatic. On evaluation it was diagnosed as gastric teratoma. On laparotomy the mass was found to be originating from lesser curvature of stomach. Mass was excised and histopathologically it was a mature cystic teratoma. No recurrence after 18 months of follow-up.

Micromechanical cohesion force measurements to determine cyclopentane hydrate interfacial properties.

Hydrate aggregation and deposition are critical factors in determining where and when hydrates may plug a deepwater flowline. We present the first direct measurement of structure II (cyclopentane) hydrate cohesive forces in the water, liquid hydrocarbon and gas bulk phases. For fully annealed hydrate particles, gas phase cohesive forces were approximately twice that obtained in a liquid hydrocarbon phase, and approximately six times that obtained in the water phase. Direct measurements show that hydrate cohesion force in a water-continuous bulk may be only the product of solid-solid cohesion. When excess water was present on the hydrate surface, gas phase cohesive forces increased by a factor of three, suggesting the importance of the liquid or quasi-liquid layer (QLL) in determining cohesive force. Hydrate-steel adhesion force measurements show that, when the steel surface is coated with hydrophobic wax, forces decrease up to 96%. As the micromechanical force technique is uniquely capable of measuring hydrate-surface forces with variable contact time, the present work contains significant implications for hydrate applications in flow assurance.

Anaesthesia for laparoscopic cholecystectomy in Bartter's syndrome.

Bartter's syndrome is a rare inherited anamoly with defect in the thick segment of the ascending limb of the loop of Henle, with reduced reabsorption of potassium. Growth is affected with worsening renal function, hypokalaemia, hypochloraemic metabolic alkalosis, hypocalcemia, hypomagnesemia, increased levels of aldosterone, renin and angiotensin without hypertension and lack of responses to vasopressors. Treatment consists of potassium supplementation along with other medications. We present the case report, probably the first, of a child suffering from Bartter's syndrome with gall stones posted for laparoscopic cholecystectomy. The pre-operative correction of hypokalemia and successful anaesthetic and fluid and electrolyte management of the patient are discussed.

A comparative study of p53 expression in hyperplastic, dysplastic epithelium and oral squamous cell carcinoma

Aim: To study oral hyperplastic epithelium, dysplastic epithelium and squamous cell carcinoma to determine (1) the prevalence of p53 protein immunoreactivity, (2) number of p53 positive cells, and (3) the area of localization of p53 protein immunoreactivity. Methods: Two contiguous sections from 30 tissue specimens (10 each from oral hyperplastic epithelium, dysplastic epithelium and squamous cell carcinoma) were subjected to hematoxylin and eosin (H/E) staining forhistopathological diagnosis and immunohistochemical (IHC) staining for demonstration of p53. p53 positivity was looked for in each IHC stained slide and the number of positive cells amongst 1,000 epithelial cells were recorded. The localization of these p53 positive cells within the strata (i.e.basal/suprabasal, spinous and superficial layers) of epithelium between 3 groups, and also with ineach group according to histological grades was recorded. Results: Higher p53 positive cell counts were demonstrated in oral squamous cell carcinoma compared to hyperplastic and dysplastic tissues. The expression of p53 in epithelial hyperkeratosis was mainly localized to basal epithelialcells whereas in epithelial dysplasia, it was predominantly localized to spinous epithelial cells. Conclusions: Qualitatively p53 is not a specific marker for malignancy of oral epithelium. However the quantitative analysis of p53 positive cells and their localization in oral epithelium is of importance as a marker for oral squamous cell carcinoma.

Pilomatricoma as a diagnostic pitfall in clinical practice: report of two cases and review of literature.

Pilomatricoma (PMC) is a relatively uncommon benign skin neoplasm arising from the skin adnexa. Since the first description of PMC in 1880, there has been a gradual increase in understanding of the morphologic features and clinical presentation of this tumor. However, difficulties still persist in making clinical and cytologic diagnosis. We report the clinical and histopathological findings of two cases of pilomatricoma. In case 1, a 10-year-old girl presented with a right upper back mass. In case 2, a nine-year-old girl presented with a left ear lobe mass. The clinical findings in both the cases were suggestive of epidermoid/dermoid cyst. However, subsequent histopathologic examination confirmed these cases as pilomatricoma. This report reveals that pilomatricoma is a frequently misdiagnosed entity in clinical practice. The purpose of this article is to create awareness among clinicians on the possibility of pilomatricoma as a cause of solitary skin nodules, especially those on the head, neck or upper extremities.

Invasive papillary carcinoma of the male breast: report of a rare case and review of the literature.

Breast masses occur in men far less commonly than women. Papillary lesions of the male breast are rare and comprise a spectrum of lesions ranging from benign intraductal papilloma to intraductal papillary carcinoma and invasive papillary carcinoma. In this case report, a 78-year-old man presented with a subareolar painless mass. Fine needle aspiration cytology (FNAC) was performed. Cytologic examination revealed a cellular aspirate. A diagnosis of papillary lesion favoring papillary carcinoma was rendered. The patient underwent modified radical mastectomy, which showed invasive papillary carcinoma. As far as we know, only a few cases of invasive papillary carcinoma of the male breast have been published in the literature. To the best of our knowledge, this is the first case report of invasive papillary carcinoma of male breast in Malaysia. In this purview, we discuss papillary carcinoma of male breast with review of the relevant literature.

Myxoid liposarcoma of the breast in a 25-year-old female as a diagnostic pitfall in fine needle aspiration cytology: report of a rare case.

Primary sarcomas of the breast are extremely rare comprising less than 1.0% of all malignant tumors of the breast. It is even rarer to be reported in a 25-year-old female. This can cause a diagnostic dilemma not only for the clinician but also for the cytopathologist. A 25-year-old woman presented with a well defined firm, mobile lump in her right breast. With fine needle aspiration cytology (FNAC) and ultrasonography a diagnosis of fibroadenoma was made. The patient underwent lumpectomy. Histopathologically it was diagnosed as myxoid liposarcoma. This case is reported to highlight the fact that, even though rare in young females but the possibility of a breast lump being a myxoid liposarcoma does exist. This report discusses a primary myxoid liposarcoma of female breast, considers cytologic differential diagnoses with review of the relevant literature.

Splenic infarct as a diagnostic pitfall in radiology.

Follow-up of colorectal carcinoma after therapy is based on symptoms, tumor markers, and imaging studies. Clinicians sometimes face diagnostic dilemmas because of unusual presentations on the imaging modalities coupled with rising serum markers. We report a case of colorectal carcinoma that presented with gastrointestinal symptoms 14 months after completion of treatment. Investigations showed rise in carcinoembryonic antigen (CEA). Suspecting disease recurrence, complete radioimaging workup was performed; the only abnormality detected was a smooth, hypodense area in the posterior third of the spleen on contrast-enhanced computed tomography abdomen. In view of the previous diagnosis of carcinoma colon, the symptoms reported by the patient, the elevated CEA, and the atypical CECT appearance, a diagnosis of splenic metastasis was made. The patient was subjected to splenectomy as a curative treatment. However, the histopathological report revealed it to be a splenic infarct. The present case reemphasizes the limitations of radiological studies in the follow-up of carcinoma colon.

Giant chiral asymmetry in the C 1s core level photoemission from randomly oriented fenchone enantiomers.

Measurements made with a dilute, non-oriented, gas-phase sample of a selected fenchone enantiomer using circularly polarized synchrotron radiation demonstrate huge chiral asymmetries, approaching 20%, in the angular distribution of photoelectrons ejected from carbonyl C 1s core orbitals. This asymmetry in the forward-backward scattering of electrons along the direction of the incident soft X-ray radiation reverses when either the enantiomer or the left-right handedness of the light polarization is exchanged. Calculations are provided that model and explain the resulting photoelectron circular dichroism with quantitative accuracy up to approximately 7 eV above threshold. A discrepancy at higher energies is discussed in the light of a comparison with the closely related terpene, camphor. The photoelectron dichroism spectrum can be used to identify the absolute chiral configuration, and it is more effective at distinguishing the similar camphor and fenchone molecules than the corresponding core photoelectron spectrum.

Cerebellar intra-axial dermoid cyst: a case of unusual location.

OBJECTS: Intra-axial dermoid cysts are rare intracranial space occupying lesions, more so in the pediatric age group. Dermoid cysts account for about 0.2 to 1.8% of all intracranial tumors and are commonly located in the cisternal spaces, mainly in the cerebellopontine angle and parasellar cisterns. A purely intra-axial position as reported in this paper is quite exceptional. MATERIALS AND METHODS: We report a case of intra-axial dermoid cyst located in the cerebellum that was surgically treated. The origin, clinical course, radiological features, pathological findings, and surgical treatment are discussed based on a review of the literature. CONCLUSION: An intra-axial dermoid cyst is a rare entity and a preoperative diagnostic dilemma, as the radiologic findings overlap with many other intra-axial cerebellar masses. The case is reported in this paper to highlight the fact that, although rare, the possibility of an intra-axial mass being a dermoid cyst does exist.

Role of radiotherapy in early breast cancer: an overview.

Radiotherapy has an established role in reducing the local relapses in breast cancer patients. The objective of this review was to investigate whether radiotherapy or its omission after breast surgery has measurable consequences on local tumor recurrence and patient survival. The late excess of cardiac deaths has also been published in various reports but important advances in the delivery of radiotherapy have overcome this problem to the extent that, excess cardiac deaths do not appear to be occurring in more recent trials. In this article some recent data, suggesting that radiotherapy following mastectomy and/or breast conserving surgery has a beneficial effect on survival is reviewed. Omission of radiotherapy is associated with a large increase in risk of ipsilateral breast tumor recurrence and with a small increase in the risk of patient's mortality.