Anomalous left atrial chorda and its association with mitral regurgitation.

Anomalous left atrial chorda is associated with mitral regurgitation. A young woman presenting for mitral valve repair with the diagnosis of mid-segment (A2) of anterior mitral leaflet prolapse causing severe mitral regurgitation. Transesophageal echocardiography examination in pre-bypass period showed an anomalous chorda attaching A2 to the left atrial roof, tethering the anterior mitral leaflet toward the atrial wall. Surgical findings confirmed the abnormally attached chordae and an absence of normal chorda of A2 segment. The anomalous chorda was resected and neo-chordae placed between the A2 segment and papillary muscles and annulus strengthened with an annuloplasty ring.

Synthesis, spectroscopic, dielectric, molecular docking and DFT studies of (3E)-3-(4-methylbenzylidene)-3,4-dihydro-2H-chromen-2-one: an anticancer agent.

BACKGROUND: Coumarin (2H-chromen-2-one) and its derivatives have a wide range of biological and pharmaceutical activities. They possess antitumor, anti-HIV, anticoagulant, antimicrobial, antioxidant, and anti-inflammatory activities. Synthesis and isolation of coumarins from different species have attracted the attention of medicinal chemists. Herein, we report the synthesis, molecular structure, dielectric, anticancer activity and docking studies with the potential target protein tankyrase. RESULTS: Molecular structure of (3E)-3-(4-methylbenzylidene)-3,4-dihydro-2H-chromen-2-one (MBDC) is derived from quantum chemical calculations and compared with the experimental results. Intramolecular interactions, stabilization energies, and charge delocalization are calculated by NBO analysis. NLO property and dielectric quantities have also been determined. It indicates the formation of a hydrogen bonding between -OH group of alcohol and C=O of coumarin. The relaxation time increases with the increase of bond length confirming the degree of cooperation and depends upon the shape and size of the molecules. The molecule under study has shown good anticancer activity against MCF-7 and HT-29 cell lines. Molecular docking studies indicate that the MBDC binds with protein. CONCLUSIONS: In this study, the compound (3E)-3-(4-methylbenzylidene)-3,4-dihydro-2H-chromen-2-one was synthesized and characterized by spectroscopic studies. The computed and experimental results of NMR study are tabulated. The dielectric relaxation studies show the existence of molecular interactions between MBDC and alcohol. Theoretical results of MBDC molecules provide the way to predict various binding sites through molecular modeling and these results also support that the chromen substitution is more active in the entire molecule. Molecular docking study shows that MBDC binds well in the active site of tankyrase and interact with the amino acid residues. These results are compared with the anti cancer drug molecule warfarin derivative. The results suggest that both molecules have comparable interactions and better docking scores. The results of the antiproliferative activity of MBDC and Warfarin derivative against MCF-7 breast cancer and HT-29 colon cancer cell lines at different concentrations exhibited significant cytotoxicity. The estimated half maximal inhibitory concentration (IC 50) value for MBDC and Warfarin derivative was 15.6 and 31.2 µg/ml, respectively. This enhanced cytotoxicity of MBDC in MCF-7 breast cancer and HT-29 colon cancer cell lines may be due to their efficient targeted binding and eventual uptake by the cells. Hence the compound MBDC may be considered as a drug molecule for cancer.Graphical abstractThe binding mode of the ligand MBDC at active site of protein and the graphical representation of cell inhibition for MCF-7 and HT-29 cell lines.

FPGA techniques based new hybrid modulation strategies for voltage source inverters.

This paper corroborates three different hybrid modulation strategies suitable for single-phase voltage source inverter. The proposed method is formulated using fundamental switching and carrier based pulse width modulation methods. The main tale of this proposed method is to optimize a specific performance criterion, such as minimization of the total harmonic distortion (THD), lower order harmonics, switching losses, and heat losses. The proposed method is articulated using fundamental switching and carrier based pulse width modulation methods. Thus, the harmonic pollution in the power system will be reduced and the power quality will be augmented with better harmonic profile for a target fundamental output voltage. The proposed modulation strategies are simulated in MATLAB r2010a and implemented in a Xilinx spartan 3E-500 FG 320 FPGA processor. The feasibility of these modulation strategies is authenticated through simulation and experimental results.

Profile of viral hepatitis A in Chennai.

This retrospective study compares the clinical features, laboratory profile and complications of anti HAV IgM positive acute viral hepatitis A in 138 children between 1-15 year (1-5 year: n=31; 5-10 year: n=85; and 10-15 year: n=22). We found that older children presented with HAV (hepatitis A virus) infection with more atypical manifestations (ascites and splenomegaly) and complications.

Chloridobis(ethyl-enediamine-κN,N')(n-pentyl-amine-κN)cobalt(III) dichloride monhydrate.

The title complex, [CoCl(C(5)H(13)N)(C(2)H(8)N(2))(2)]Cl(2)·H(2)O, comprises one chloridobis(ethyl-enediamine)(n-pentyl-amine)cobalt(III) cation, two chloride counter-anions and a water mol-ecule. The Co(III) atom of the complex is hexa-coordinated by five N and one Cl atoms. The five N atoms are from two chelating ethyl-enediamine and one n-pentyl-amine ligands. Neighbouring cations and anions are connected by N-H⋯Cl and N-H⋯O hydrogen bonds to each other and also to the water mol-ecule.

4'-(4-Methoxy-phen-yl)-1,1',1''-trimethyl-dispiro-[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione.

In the title compound, C(24)H(25)N(3)O(4), the pyrrolidine ring adopts an envelope conformation while the pyrrolidine-2'',5''-dione ring adopts a twist conformation. The indoline unit is planar [maximum deviation of -0.050 (9) Å] and forms a dihedral angle of 40.36 (4)° with the methoxy-phenyl ring. Intra-molecular C-H⋯O hydrogen bonds are observed. In the crystal, mol-ecules are linked into a two-dimensional network parallel to the ab plane by inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

Methyl 5-ferrocenyl-5a-hydr-oxy-1-methyl-10-oxo-2,3,3a,4,5a,10-hexa-hydro-1H-indeno[1,2:2',3']furo[3',4'-b]pyrrole-3a-carboxyl-ate.

In the title compound, [Fe(C(5)H(5))(C(21)H(20)NO(5))], the pyrrolidine and cyclo-penta-none rings exhibit a twist conformation. The pyrrolidine ring is almost perpendicular to the cyclo-penta-none ring, making a dihedral angle of 81.91 (6)°. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond and C-H⋯O inter-actions. The crystal structure is stabilized by inter-molecular C-H⋯O inter-actions.

Methyl 1-methyl-3-p-tolyl-1,2,3,3a,4,11c-hexa-hydro-benzo[f]chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

In the title compound, C(25)H(25)NO(3), the dihydro-pyran ring adopts a half-chair conformation, whereas the pyrrolidine ring is in a twist conformation. The tolyl group is oriented at an angle of 82.92 (7)° with respect to the napthalene ring system. In the crystal structure, mol-ecules are linked into centrosymmetric dimers by C-H⋯π inter-actions involving the benzene ring of the tolyl group.

Methyl 5-phenyl-1,2,3,4,4a,5,5a,13c-octahydro-6H-benzo[f]chromeno[3,4-b]indolizine-5a-carboxyl-ate.

In the title compound, C(27)H(27)NO(3), the pyrrolidine ring exhibits a twist conformation and the piperidine ring exhibits a chair conformation. The pyrrolidine ring makes dihedral angles of 54.47 (5), 51.50 (5) and 73.37 (6)° with the napthalene ring system and the tetra-hydro-pyran and phenyl rings, respectively. The structure is stabilized by intra-molecular C-H⋯O and C-H⋯N inter-actions.

Methyl 4-(4-methoxy-phen-yl)-1,2,3,3a,4,4a,5,12c-octa-hydro-benzo[f]chromeno[3,4-b]pyrrolizine-4a-carboxyl-ate.

In the title compound, C(27)H(27)NO(4), both the pyrrolidine rings in the pyrrolizine ring system adopt envelope conformations, whereas the dihydro-pyran ring adopts a half-chair conformation. The methoxy-phenyl group is oriented at an angle of 53.72 (4)° with respect to the naphthalene ring system. Intra-molecular C-H⋯O hydrogen bonds are observed. The crystal structure is stabilized by weak inter-molecular C-H⋯π inter-actions.

Methyl 3-(4-bromo-phen-yl)-1-methyl-1,2,3,3a,4,9b-hexa-hydro-benzo[f]chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

In the title compound, C(24)H(22)BrNO(3), the dihydro-pyran ring adopts a half-chair conformation, whereas the pyrrolidine ring is in an envelope conformation. The bromo-phenyl group is oriented at an angle of 66.44 (4)° with respect to the naphthalene ring system. In the crystal structure, mol-ecules are linked into centrosymmetric dimers by C-H⋯π inter-actions and the dimers are connected via C-H⋯Br hydrogen bonds. The crystal structure is further stabilized by π-π inter-actions [centroid-centroid distance = 3.453 (1) Å].

Methyl 3-[ferrocen-yl(hydr-oxy)meth-yl]-1-methyl-2'-oxospiro-[pyrrolidine-2,3'-indoline]-3-carboxyl-ate.

In the title compound, [Fe(C(5)H(5))(C(20)H(21)N(2)O(4))], the pyrrolidine ring exhibits an envelope conformation with the spiro-C atom deviating from the plane of the remaining four atoms. The pyrrolidine ring is almost perpendicular to the indolinone ring [dihedral angle = 87.52 (7)°]. The structure is stabilized by an intra-molecular O-H⋯N hydrogen bond and by inter-molecular C-H⋯O and N-H⋯O inter-actions.

(1'S)-4-(3,4-Dichlorophenyl)-1'-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-spiro-2'-pyrrolizidine-3'-spiro-3''-indoline-1,2''-dione.

In the title compound C(37)H(32)Cl(2)N(2)O(4), the unsubstituted pyrrolidine ring shows a twist conformation whereas the substituted pyrrolidine ring shows an envelope conformation. The dimeth-oxy benzene ring is perpendicular to the tetra-lone ring, making a dihedral angle of 89.94 (5)°. Mol-ecules are linked into centrosymmetric dimers by N-H⋯O hydrogen bonds and the crystal structure is stabilized by C-H⋯π inter-actions and C-H⋯O hydrogen bonds. One meth-oxy group is disordered over two positions with the site occupancy factors of 0.84 (2) and 0.16 (2).

3-(4-Fluoro-phenyl)-1-[1'-(4-fluoro-phenyl)-2-oxo-5',6',7',7a'-tetra-hydro-1H-indole-3(2H)-spiro-3'(2'H)-1H'-pyrrol-izin-2'-yl]prop-2-en-1-one.

In the title compound, C(29)H(24)F(2)N(2)O(2), one of the pyrrolidine rings of the pyrrolizine system is disordered over two sites, with occupancy factors 0.734:0.266 (12). Both components of the disordered pyrrolidine ring adopt envelope conformations, whereas the other pyrrolidine ring adopts a twist conformation. The mol-ecules are linked into centrosymmetric dimers by N-H⋯O hydrogen bonds and the dimers are connected via C-H⋯π inter-actions. The crystal structure is also stabilized by inter-molecular C-H⋯F hydrogen bonds.

1-[2-Oxo-1'-phenyl-2',3',5',6',7',7a'-hexa-hydroindoline-3-spiro-3'-1'H-pyrrolizin-2'-yl]-3-phenyl-prop-2-en-1-one.

In the title compound, C(29)H(26)N(2)O(2), one of the pyrrolidine rings in the pyrrolizine system is disordered, with site occupancies of ca 0.55 and 0.45. Both components of the disordered pyrrolidine ring adopt envelope conformations, whereas the other pyrrolidine ring adopts a twist conformation. The mol-ecules are linked into centrosymmetric dimers by N-H⋯O hydrogen bonds and the dimers are connected via C-H⋯π inter-actions.

Ethyl 1'-[1-(4-methoxyphenyl)-3-phenoxy-4-phenylazetidin-1-yl]-1,3-dioxo-2',3',5',6',7',7a'-hexahydroindan-2-spiro-3'-1'H-pyrrolizine-2'-carboxylate.

In the title compound, C(34)H(32)N(2)O(7), the methyl group and methylene H atoms of the ethoxycarbonyl substituent are disordered over two positions with site occupancy factors for the major and minor conformers of 0.594 (8) and 0.406 (8), respectively. The unsubstituted ring of the pyrrolizine ring system exhibits a twist conformation, the other an envelope conformation. In the crystal structure, mol-ecules are linked through C-H⋯O hydrogen bonds; intramolecular C-H⋯O interactions are also observed.

(3aS,9bR)-Methyl 1-methyl-3-phenyl-1,2,3,3a,4,9b-hexa-hydro-chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

In the title compound, C(20)H(21)NO(3), the heterocyclic six-membered ring adopts a half-chair conformation and the pyrrolidine ring adopts an envelope conformation. The mol-ecular conformation is stabilized by C-H⋯O and C-H⋯N inter-actions.

3-(4-Chloro-phen-yl)-4-(4-methoxyphen-yl)-6-(phenyl-selenylmeth-yl)-2,3,3a,3b,4,5,5a,6,1'',2'',3'',4''-do-deca-hydro-azeto[2',3':3,4]pyrrolo[1,2-b]isoxazole-2-spiro-2''-naphthalene-5,1''-dione.

In the title compound, C(36)H(31)ClN(2)O(4)Se, the four-membered ß-lactam ring is fused to a pyrrolidine ring. The central five-membered ring of the fused tricyclic system exhibits an envelope conformation with the N atom as the flap, while the other five-membered ring exhibits a twist conformation. The chloro-phenyl ring is almost perpendicular to the pyrrolidine ring, making a dihedral angle of 73.45 (1)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O inter-actions and the packing is further enhanced by C-H ⋯N inter-actions and π-π inter-actions between benzene rings of tetra-lone groups in mol-ecules related by an inversion center, with a centroid-centroid separation of 3.8923 (2) Å.

1-Allyl-3,3-diphenyl-indolin-2-one.

In the title compound, C(23)H(19)NO, the oxindole residue is essentially planar and is almost perpendicular to the phenyl rings [dihedral angles = 72.1 (6) and 77.6 (6)°]. The mol-ecular packing is stabilized by C-H⋯O hydrogen bonds and C-H⋯N inter-actions.

1-(4-Methoxy-phen-yl)-7-phenyl-3-(phenyl-selenylmeth-yl)perhydro-isoxazolo[2',3':1,2]pyrrolo[3,4-b]azetidine-6-spiro-2'-chroman-2,4'-dione.

In the title compound, C(35)H(30)N(2)O(5)Se, the pyrrolidine ring adopts an envelope conformation and the oxazolidine ring is in a twist conformation. The tetra-hydro-pyran ring adopts a half-chair conformation. The methoxy-phenyl ring is twisted away from the attached azetidinone ring by 15.7 (1)°. In the crystal structure, inter-molecular C-H⋯O inter-actions link the mol-ecules into a two-dimensional network.