Investigation of the Nuclear Structure of Some Ni and Zn Isotopes with Skyrme-Hartree-Fock Interaction

تم التقصي عن عوامل التشكل C2 الغير مرن  وتوزيع كثافة الشحنة (CDD) لـ 58,60,62Ni  و 64,66,68Zn  من خلال استخدام طريقة Skyrme-Hartree-Fock مع معلمات (Sk35-Skzs *). تم حساب عوامل التشكل C2 غير المرن باستخدام شكل نماذج Tassie و Bohr-Mottelson مع الشحنات الفعالة المناسبة للبروتون والنيوترون لحساب مساهمة تأثيرات أستقطاب القلب. تمت مقارنة القيم النظرية المتوقعة مع البيانات المقاسة المتاحة لعوامل الشكل C2 و CDD وأظهرت توافقًا جيدًا جدًا.The inelastic C2 form factors and the charge density distribution (CDD) for 58,60,62Ni and 64,66,68Zn nuclei has been investigated by employing the Skyrme-Hartree-Fock method with (Sk35-Skzs*) parametrization. The inelastic C2 form factor is calculated by using the shape of Tassie and Bohr-Mottelson models with appropriate proton and neutron effective charges to account for the core-polarization effects contribution. The comparison of the predicted theoretical values was conducted with the available measured data for C2 and CDD form factors and showed very good agreement

Serum vitamin D and IgE levels in infants and children under 2 years of age with recurrent chest wheeze

Background: Wheezing is a very common complaint on admission to the pediatric emergency department. There is an increasing awareness of the important role of vitamin D (VD) in the maintenance of the immune system, recurrent wheezing and respiratory health. Objective: The study aimed to estimate serum 25 hydroxy vitamin D (25OHD), IgE levels and blood eosinophilic count in infants and children under 2 years of age with recurrent wheeze. Methods: This case-control study was carried out on 85 infants (58 males and 27 females; as the patients’ group, ranging in age from 6-24 months, diagnosed to have recurrent wheeze (>3 attacks), recruited from the Pediatric Emergency Department in comparison to 85 age and gender matched healthy infants with no history of wheeze (as the control group). Blood samples were taken from both groups to determine serum 25OHD level, IgE level, and eosinophil count. Results: Serum 25OHD levels of patients were significantly lower than those of controls (p = 0.001), whereas serum IgE and eosinophil counts of patients were significantly higher than those of controls (p <0.0001 for both). Serum levels of 25OHD correlated negatively with the number of wheeze attacks and hospitalization. Conclusion: The study findings revealed lower serum 25OHD levels in infants with recurrent wheeze and provides additional evidence supporting the hypothesis that VD has a role in infant wheeze. VD supplementation might be practical and favorable for better control of recurrent infant wheeze.Keywords:Vitamin D, IgE, Infants, Wheeze

Reactivity of 2-substituted hydrazinecarbothioamides towards tetracyanoethylene and convenient synthesis of (5-amino-2-diazenylthiazolylmethylene) malononitrile derivatives

2-{Amino-[5-amino-2-(substituted diazenyl) thiazol-4-yl] methylene} malononitriles were synthesized from the reaction of 2-substituted hydrazinecarbothioamides with tetracyanoethylene (TCNE) to give tetracyanoethane adduct, followed by heterocyclization afforded the target compounds. The structure of (E)-2-{amino-[5-amino-2-(phenyldiazenyl) thiazol-4-yl] methylene} malononitrile was supported by single crystal X-ray crystallography.Peer reviewe

A convenient and efficient synthesis of thiazolidin-4-ones via cyclization of substituted hydrazinecarbothioamides

2-Substituted hydrazinecarbothioamides and N ,2-disubstituted hydrazinecarbothioamides react in high yield with dimethyl acetylenedicarboxylate (DMAD) to give 4-oxo-Z-(thiazolidin-5-ylidene) acetate derivatives. Several mechanistic options involving interaction are presented. The structures of thiazolidin-4-ones have been unambiguously confirmed by single crystal X-ray crystallography. (C) 2014 The Authors. Production and hosting by Elsevier B.V. on behalf of King Saud University.Peer reviewe

Design, synthesis, crystal structures and biological evaluation of some 1,3-thiazolidin-4-ones as dual CDK2/EGFR potent inhibitors with potential apoptotic antiproliferative effects

A series of novel thiazolidine-4-one derivatives was synthesized by reacting 1,4disubstituted hydrazine carbothioamides with diethyl azodicarboxylate. The structures were confirmed by spectroscopic data as well as single-crystal X-ray analyses. The antiproliferative activity of the synthesized compounds was investigated against four human cancer cell lines using an MTT assay. Compounds 5d, 5e, and 5f revealed the most potent antiproliferative activity with GI50 values ranging from 0.70 mM to 1.20 mM, compared to doxorubicin GI50 value = 1.10 mM. Compounds 5d, 5e, and 5f were further investigated for their inhibitory activities against CDK2 and EGFR as potential targets for their molecular mechanism. Compounds 5e and 5f have showed potent inhibitory activity to CDK2 enzyme with IC50 values of 18 and 14 nM, which is more potent than the reference dinaciclib (IC50 = 20 nM). Moreover, compounds 5e and 5f were the most potent EGFR inhibitors, with IC50 values of 93 and 87 nM, respectively, compared to the reference erlotinib (IC50 = 70 nM). In addition, the most potent derivatives were tested for their apoptotic activity against caspases 3, 8, and 9, and the results showed that compounds 5d, 5e, and 5f revealed a greater increase in active caspases 3,8 and 9 than doxorubicin. Also, compounds 5d, 5e, and 5f elevated cytochrome C levels in the MCF-7 human breast cancer cell line by about 15.5, 15.8, and 16.5 times, respectively. Finally, a molecular docking study was performed to investigate the binding sites of these compounds within the active sites of CDK2 and EGFR targets, and the results confirmed that the most potent CDK2 and EGFR inhibitor 5h also have showed the highest docking (c) 2022 The Author(s). Published by Elsevier B.V. on behalf of King Saud University. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).Peer reviewe

Design, synthesis, crystal structures and biological evaluation of some 1,3-thiazolidin-4-ones as dual CDK2/EGFR potent inhibitors with potential apoptotic antiproliferative effects

A series of novel thiazolidine-4-one derivatives was synthesized by reacting 1,4-disubstituted hydrazine carbothioamides with diethyl azodicarboxylate. The structures were confirmed by spectroscopic data as well as single-crystal X-ray analyses. The antiproliferative activity of the synthesized compounds was investigated against four human cancer cell lines using an MTT assay. Compounds 5d, 5e, and 5f revealed the most potent antiproliferative activity with GI$_{50}$ values ranging from 0.70 µM to 1.20 µM, compared to doxorubicin GI$_{50}$ value = 1.10 µM. Compounds 5d, 5e, and 5f were further investigated for their inhibitory activities against CDK2 and EGFR as potential targets for their molecular mechanism. Compounds 5e and 5f have showed potent inhibitory activity to CDK2 enzyme with IC$_{50}$ values of 18 and 14 nM, which is more potent than the reference dinaciclib (IC$_{50}$ = 20 nM). Moreover, compounds 5e and 5f were the most potent EGFR inhibitors, with IC$_{50}$ values of 93 and 87 nM, respectively, compared to the reference erlotinib (IC$_{50}$ = 70 nM). In addition, the most potent derivatives were tested for their apoptotic activity against caspases 3, 8, and 9, and the results showed that compounds 5d, 5e, and 5f revealed a greater increase in active caspases 3,8 and 9 than doxorubicin. Also, compounds 5d, 5e, and 5f elevated cytochrome C levels in the MCF-7 human breast cancer cell line by about 15.5, 15.8, and 16.5 times, respectively. Finally, a molecular docking study was performed to investigate the binding sites of these compounds within the active sites of CDK2 and EGFR targets, and the results confirmed that the most potent CDK2 and EGFR inhibitor 5h also have showed the highest docking score

Synthesis of novel amidines via one-pot three component reactions: Selective topoisomerase I inhibitors with antiproliferative properties

Novel series of amidines were synthesized via the interaction between alicyclic amines, cyclic ketones, and a highly electrophilic 4-azidoquinolin-2(1H)-ones without any catalyst or additive. All the obtained products were elucidated based on NMR spectroscopy, mass spectrometry, and elemental analysis. The reaction conditions were optimized using cyclohexanone (2), piperidine (3a), and 4-azido-quinolin-2(1H)-one (1a) under an air atmosphere. The new compounds 4a-l and 5a-c were tested for antiproliferative activity against four cancer cell lines using doxorubicin as a reference drug. The most potent derivatives were compounds 4b, 4d, 4e, 4i, and 5c, with GI$_{50}$ ranging from 1.00 µM to 1.50 µM. Compound 5c was the most effective derivative against the four cancer cell lines, outperforming doxorubicin. The compounds 4b, 4d, 4e, 4i, and 5c were studied further as topoisomerase I and IIα inhibitors. The compounds tested showed selective inhibition of topo I over topo IIα. Finally, docking studies explain why these compounds prefer topo I over topo IIα

Synthesis and Structure Determination of Substituted Thiazole Derivatives as EGFR/BRAFV600E^{V600E} Dual Inhibitors Endowed with Antiproliferative Activity

2,3,4-trisubstituted thiazoles 3a–i, having a methyl group in position four, were synthesized by the reaction of 1,4-disubstituted thiosemicarbazides with chloroacetone in ethyl acetate/Et$_3$N at room temperature or in ethanol under reflux. The structures of new compounds were determined using NMR spectroscopy, mass spectrometry, and elemental analyses. Moreover, the structure of compound 3a was unambiguously confirmed with X-ray analysis. The cell viability assay of 3a–i at 50 µM was greater than 87%, and none of the tested substances were cytotoxic. Compounds 3a–i demonstrated good antiproliferative activity, with GI$_{50}$ values ranging from 37 to 86 nM against the four tested human cancer cell lines, compared to the reference erlotinib, which had a GI$_{50}$ value of 33 nM. The most potent derivatives were found to be compounds 3a, 3c, 3d, and 3f, with GI50 values ranging from 37 nM to 54 nM. The EGFR-TK and BRAF$^{V600E}$ inhibitory assays’ results matched the antiproliferative assay’s results, with the most potent derivatives, as antiproliferative agents, also being the most potent EGFR and BRAF$^{V600E}$ inhibitors. The docking computations were employed to investigate the docking modes and scores of compounds 3a, 3c, 3d, and 3f toward BRAF$^{V600E}$ and EGFR. Docking computations demonstrated the good affinity of compound 3f against BRAF$^{V600E}$ and EGFR, with values of −8.7 and −8.5 kcal/mol, respectively

Effects of sand and gating architecture on the performance of foot valve lever casting components used in pump industries

Funding Information: The authors thank Kalasalingam Academy of Research and Education, Krishnankoil for providing the facilities for various tests and characterizations. The King Saud University authors extend their appreciation to the Deanship of Scientific Research at King Saud University for funding the work through the research group project no. RG-148. This Research was funded by King Mongkut's University of Technology North Bangkok has received funding support from the National Science, Research and Innovation Fund (NSRF) (Grant No. KMUTNB-MHESI-64-16.1). Publisher Copyright: © 2021 The Author(s)This work addresses manufacture, testing and simulation of foot valve lever (FVL) for monoblock pump industry, using a cost-effective casting design process. The impact of different types of sands, such as air-set, dry and sodium silicate as well as gating designs, namely H-, U- and O-type, were studied with respect to surface roughness and porosity. The mold pattern was produced using additive manufacturing (AM) technology. Both experimental and numerical investigations were performed on the temperature distribution of molten metal at random locations for the different gating configurations or designs, considering mold filling and solidification. It was evident from the experimental investigation that contribution of air-set sand and O-type gating architecture showed limited consistency effects. Importantly, gating architecture was the most influential parameter to determine all specified quality outcomes, independent of sand mold. An order of O < H < U-type was obtained from the gating designs for minimal surface roughness and percentage of porosity. Furthermore, the microstructure analysis depicted only an irregular defect with minimum quantity at both surface and cross-section of O-type at two different locations. Optimum pouring temperatures of 740, 750 and 790 °C were obtained for mold filling of all 24 components of H-, O- and U-type of gating designs, respectively. The varying solidification temperature was observed from real time thermocouple reading, which was in close agreement with the numerical simulation. Evidently, O-type of gating design exhibited best performance for large-scale development of the FVL in terms of surface roughness, porosity and cooling effects.Peer reviewe