1-(o-Tol­yl)thio­urea

In the title compound, C8H10N2S, the o-tolyl group and the thio­urea core are planar. The mean planes of the two groups are almost perpendicular [82.19 (8)°]. The thio­urea group is in the thio­amide form, in which resonance is present. In the crystal structure, mol­ecules are linked by inter­molecular N—H⋯S hydrogen bonds, forming two infinite chains parallel to the (110) and (10) planes

Geophagia in a large felid in captivity: A case report of lethal gastrointestinal impaction in a Bengal tigress (Panthera tigris tigris)

Deliberate geophagia or sand-eating behaviour has been widely documented in herbivorous and omnivorous mammals, but never in large felids at captivity. Here we report a case of apparent lethal gastrointestinal impaction from sand intake in a 10-year-old captive Bengal tigress. After 2 days of anorexia and prostration the tigress was admitted to the University Veterinary Hospital with abdominal distension and diarrhoea and died shortly afterwards. A post-mortem examination revealed oesophageal perforation, abundant liquid in the stomach and pyloric obstruction due to the presence of compacted sand and some masses of poultry bones. It is hypothesized that geophagy (of sand) may have been a strategy to alleviate indigestion by consumption of rotten poultry carcasses, but evolved into a compulsive/obsessive-compulsive disorder over time, possibly due to a restricted and barren environment. Zoo animal welfare involves a series of challenges that include an adequate diet in quantity and presentation, as well as complex behaviours such as the motivation to ingest non-food substances under certain contexts during life in captivity

1-(2-Furo­yl)-3-(o-tol­yl)thio­urea

The title compound, C13H12N2O2S, was synthesized from furoyl isothio­cyanate and o-toluidine in dry acetone. The thio­urea group is in the thio­amide form. The central thio­urea fragment makes dihedral angles of 2.6 (1) and 22.4 (1)° with the ketofuran group and the benzene ring, respectively. The mol­ecular structure is stabilized by N—H⋯O hydrogen bonds. In the crystal structure, centrosymmetrically related mol­ecules are linked by a pair of N—H⋯S hydrogen bonds to form a dimer with an R 2 2(6) ring motif

N-(2-Furylcarbon­yl)piperidine-1-carbo­thio­amide

The title compound, C11H14N2O2S, was synthesized from furoyl isothio­cyanate and piperidine in dry acetone. The thio­urea group is in the thio­amide form. The thio­urea group makes a dihedral angle of 53.9 (1)° with the furan carbonyl group. In the crystal structure, mol­ecules are linked by inter­molecular N—H⋯O hydrogen bonds, forming one-dimensional chains along the c axis. An intramolecular N—H⋯O hydrogen bond is also present

An implicit formulation for calculating final conditions in drainage maneuvers in pressurized water installations

[EN] Emptying processes are typical maneuvers that should be performed by water distribution companies for operation purposes. These processes involve a complex numerical analysis, since a set of algebraic and ordinary differential equations needs to be solved for the intricacy of hydraulic and thermodynamic formulations for two analyzed phases (liquid and gas). This research provides an implicit equation to compute exactly the final conditions in water emptying operations in single pipelines without an air valve (or admitted air). The implicit expression was developed by considering that for all final conditions, the water velocity is null, and thus, the water column length and air pocket pressure can be computed. The friction factor, internal pipe diameter, and opening maneuvers of drain valves do not disturb the final conditions in draining processes. The developed implicit formulation was validated using experimental measurements in a pipeline with a total length of 4.36 m. The equation is of utmost importance, since it can be utilized for engineers to easily plan for future conditions in water distribution networks.This research was funded by the Escuela Naval de Cadetes "Almirante Padilla"-Armada de Colombia with the financial support of the ARC-Minciencias for the project entitled "Console Prototype of engineering in virtual reality and simulation in the training of crew members in emergency procedures" with grant number 75926.Coronado-Hernández, OE.; Bonilla-Correa, DM.; Lovo, A.; Fuertes-Miquel, VS.; Gatica, G.; Linfati, R.; Coronado-Hernández, JR. (2022). An implicit formulation for calculating final conditions in drainage maneuvers in pressurized water installations. Water. 14(21):1-13. https://doi.org/10.3390/w14213364113142

1-Furoyl-3-[3-(trifluoro­meth­yl)phen­yl]thio­urea

The title compound, C13H9F3N2O2S, crystallizes with two independent mol­ecules in the asymmetric unit. The central thio­urea core is roughly coplanar with the furan and benzene rings, showing O—C—N—C(S) torsion angles of 2.3 (4) and −11.4 (2)° and (S)C—N—C—C torsion angles of −2.4 (4) and −28.8 (4)°, respectively, in the two independent mol­ecules. The trans–cis geometry of the thio­urea fragment is stabilized by an intra­molecular N—H⋯O hydrogen bond between the H atom of the cis thio­amide and the carbonyl O atom. In the crystal structure, inter­molecular N—H⋯S hydrogen bonds form centrosymmetric dimers extending along the b axis

Tris[N-(2-furoyl)-N,N′-diphenyl­thio­ureato-κ2 O,S]cobalt(III)

In the title compound, [Co(C18H13N2O2S)3], the CoIII atom is coordinated by the S and O atoms of three N-furoyl-N′,N′-diphenyl­thio­urea ligands in a slightly distorted octa­hedral geometry. The three O atoms are arranged fac, as are the three S atoms

cis-Bis[N-(2-furoyl)-N′,N′-diphenyl­thio­ureato-κ2 O,S]nickel(II)

In the title compound, [Ni(C18H13N2O2S)2], the NiII atom is coordinated by the S and O atoms of two N-furoyl-N′,N′-diphenyl­thio­ureate ligands in a slightly distorted square-planar coordination geometry. The two O and two S atoms are cis to each other

Design, Synthesis and Evaluation of 2,4- Diaminoquinazoline Derivatives as Potential Tubulin Polymerization Inhibitors

Microtubules are highly dynamic polymers composed of α- and β- tubulin proteins that have been shown to be potential therapeutic targets for the development of anticancer drugs. Currently, a wide variety of chemically diverse agents that bind to β- tubulin have been reported. Nocodazole (NZ) and colchicine (COL) are well- known tubulin- depolymerizing agents that have close binding sites in the β- tubulin. In this study, we designed and synthesized a set of nine 2,4- diaminoquinazoline derivatives that could occupy both NZ and COL binding sites. The synthesized compounds were evaluated for their antiproliferative activities against five cancer cell lines (PC- 3, HCT- 15, MCF- 7, MDA- MB- 231, and SK- LU- 1), a noncancerous one (COS- 7), and peripheral blood mononuclear cells (PBMC). The effect of compounds 4- e and 4- i on tubulin organization and polymerization was analyzed on the SK- LU- 1 cell line by indirect immunofluorescence, western blotting, and tubulin polymerization assays. Our results demonstrated that both compounds exert their antiproliferative activity by inhibiting tubulin polymerization. Finally, a possible binding pose of 4- i in the NZ/COL binding site was determined by using molecular docking and molecular dynamics (MD) approaches. To our knowledge, this is the first report of non- N- substituted 2,4- diaminoquinazoline derivatives with the ability to inhibit tubulin polymerization.More is not always better: A set of nine 2,4- diaminoquinazoline derivatives were evaluated for their ability to inhibit tubulin polymerization by using immunofluorescence staining analysis, western blotting, tubulin polymerization assays, and molecular dynamics simulations. Our study provides valuable insights into the design of 2,4- diaminoquiazoline compounds as tubulin polymerization inhibitors for the treatment of lung and breast cancer.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/163403/3/cmdc202000185-sup-0001-misc_information.pdfhttp://deepblue.lib.umich.edu/bitstream/2027.42/163403/2/cmdc202000185_am.pdfhttp://deepblue.lib.umich.edu/bitstream/2027.42/163403/1/cmdc202000185.pd