Antibacterial and anti-biofilm activity of the lipid extract from Mantidis ootheca on Pseudomonas aeruginosa.

The aim of this study is to assess the antibacterial and anti-biofilm properties of the lipid extract from Mantidis ootheca against the gentamycin resistant Pseudomonas aeruginosa. The chemical composition of the lipid extract and its relative proportion were determined using the technique of gas chromatography coupled with mass spectrometry (GC-MS). Antibacterial susceptibility tests were performed using a disc diffusion assay and the minimum inhibition concentration (MIC) was determined by way of the agar dilution method. The anti-biofilm test was carried out with crystal violet staining and scanning electron microscopy (SEM). There were 16 compounds detected, and the most abundant components were sesquiterpenoids, monoterpenes, and trace aromatic compounds. The MIC for P. aeruginosa was 4 mg/ml and the eradication effect on preformed biofilms was established and compared with a ciprofloxacin control. The results of our study indicated that a lipid extract from M. ootheca could be used as a topical and antibacterial agent with anti-biofilm activity in the future.

Studies on molecular structure, vibrational spectra and molecular docking analysis of 3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl 4-aminobenzoate.

The molecular structure, vibrational analysis and molecular docking analysis of the 3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl 4-aminobenzoate (MDDNAB) molecule have been carried out using FT-IR and FT-Raman spectroscopic techniques and DFT method. The equilibrium geometry, harmonic vibrational wave numbers, various bonding features have been computed using density functional method. The calculated molecular geometry has been compared with experimental data. The detailed interpretation of the vibrational spectra has been carried out by using VEDA program. The hyper-conjugative interactions and charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The simulated FT-IR and FT-Raman spectra satisfactorily coincide with the experimental spectra. The PES and charge analysis have been made. The molecular docking was done to identify the binding energy and the Hydrogen bonding with the cancer protein molecule.

Quercetin: a potential natural drug for adjuvant treatment of rheumatoid arthritis.

Rheumatoid arthritis (RA) is the rheumatism mainly manifested as disabling joint disease and mainly involves hands, wrists, feet and other small joints. Recurrent arthritis attacks, synovial cell hypertrophy and hyperplasia and bone and cartilage damages eventually lead to joint dysfunction and other complications, and there is no cure. Quercetin (QU) is a kind of natural flavonoids, with lipid-lowering, anti-inflammatory and other pharmacological activities, and minor toxic side effects. Thus, we assume that QU may be an adjuvant natural drug for treatment of RA. The possible mechanism is through regulation of NF-κB, to inhibit the transcription of joint synovitis factors, hinder the generation of inflammatory factors, and inhibit the inflammatory reaction; through inhibiting the activities of VEGF, bFGF, MMP-2 and other cytokines, to inhibit angiogenesis in multiple links and inhibit synovial pannus formation. QU may be an adjuvant natural drug for treatment of RA.

Comparison of the protective effects of ferulic acid and its drug-containing plasma on primary cultured neonatal rat cardiomyocytes with hypoxia/reoxygenation injury.

BACKGROUND: To simulate the ischemia-reperfusion injury in vivo, hypoxia/reoxygenation injury model was established in vitro and primary cultured neonatal rat cardiomyocytes were underwent hypoxia with hydrosulfite (Na2S2O4) for 1 h followed by 1 h reoxygenation. MATERIALS AND METHODS: Determination the cell viability by MTT colorimetric assay. We use kit to detect the activity of lactate dehydrogenase (LDH), Na(+)-K(+)-ATPase and Ca(2+)-ATPase. Do research on the effect which ferulic acid and its drug-containing plasma have to self-discipline, conductivity, action potential duration and other electrophysiological phenomena of myocardial cells by direct observation using a microscope and recording method of intracellular action potential. RESULTS: The experimental datum showed that both can reduce the damage hydrosulfite to myocardial cell damage and improve myocardial viability, reduce the amount of LDH leak, increase activity of Na(+)-K(+)-ATPase, Ca(2+)-ATPase, and increase APA (Action potential amplitude), Vmax (Maximum rate of depolarization) and MPD (Maximum potential diastolic). CONCLUSION: Taken together, therefore, we can get the conclusion that ferulic acid drug-containing plasma has better protective effect injured myocardial cell than ferulic acid.

Structural conformations and density functional study on the intramolecular charge transfer based on vibrational spectra of 2,4-dihydroxy-N'-(4-methoxybenzylidene)benzohydrazide.

The NIR-FT Raman and FT-IR spectra of 2,4-dihydroxy-N'-(methoxybenzylidene) benzohydrazide (DMBBH) molecule have been recorded and analyzed. Density functional theory (DFT) calculations at the B3LYP/6-31G(d) level has been used to compute energies of different conformers of DMBBH to find out their stability, the optimized geometry of the most stable conformer and its vibrational spectrum. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential surfaces (ESP). A complete vibrational analysis has been attempted on the basis of experimental infrared and Raman spectra and calculated vibrational modes and potential energy distribution over the internal coordinates. The vibrational analysis confirm the charge transfer interaction between the phenyl rings through C=N-N skeleton. The broadening of the band at 1631 cm(-1) and the appearance of the band at 1556 cm(-1) strongly suggests the existence of proton equilibrium.

Protein tyrosine phosphatase 1B inhibitory effect by dammarane-type triterpenes from hydrolyzate of total Gynostemma pentaphyllum saponins.

Protein tyrosine phosphatase 1B (PTP1B) is an important factor in non-insulin-dependent diabetes mellitus (type-2 diabetes), and a promising target for treatment of diabetes and obesity. Therefore, the aim of this study is to investigate the inhibitory activities of constituents (three new together with twelve known triterpenes compounds) isolated from the hydrolyzate of total saponins from Gynostemma pentaphyllum. Their structures were accomplished mainly base on the spectroscopic methods, and then were further confirmed by X-ray crystal diffraction. All the compounds were evaluated for inhibitory activity against PTP1B. Current data suggested that the compounds 1, 3, 12, 13 and 14 were considered to be potential as antidiabetic agents, in which they could significantly inhibit the PTP1B enzyme activity in a dose-dependent manner.

Clinical research on the bio-debridement effect of maggot therapy for treatment of chronically infected lesions.

OBJECTIVE: To evaluate the bio-debridement effect of maggot therapy for treating chronically infected lesions. METHODS: A retrospective study was conducted of 25 patients with diabetic foot ulcers and 18 patients with pressure ulcers after spinal cord injury treated by maggot therapy or traditional dressing. Changes in the lesions were observed and bacterial cultures tested. RESULTS: All ulcers healed completely. The times taken to achieve bacterial negativity, granulation and healing of lesions were all significantly shorter in the maggot therapy group than in the control group, both for diabetic foot ulcers (P < 0.05) and pressure ulcers (P < 0.05). CONCLUSION: Maggot therapy is a safe and effective method for treating chronically infected lesions.

Simultaneous quantification of seven major bufadienolides in three traditional Chinese medicinal preparations of chansu by HPLC-DAD.

A high-performance liquid chromatographic method was applied to the determination of gamabufotalin, telocinobufagin, bufotalin, cinobufotalin, bufalin, cinobufagin and resibufogenin in three traditional Chinese medicinal preparations containing ChanSu. The compounds were separated on a YMC-C18 column (250 x 4.6 mm, 5 um) with a gradient of acetonitrile and 0.3% aqueous acetic acid (v/v) at a flow rate of 0.8 mL min(-1) and detected at 296 nm. Complete separation was obtained within 35 min for the seven bufadienolides. The calibration curves showed good linearity (r2 > 0.999) within the test range. The recovery was 95.5% - 105.9%. The assay could simultaneously determine seven major bufadienolides of the three Chinese medicinal preparations of ChanSu in 35 min. The results obtained suggested that the developed HPLC assay could be comprehensively utilized for the quality control of the three traditional Chinese medicinal preparations of ChanSu used in the clinic.

A novel threefold-interpenetrating primitive cubic network based on a dinuclear Zn2 node.

In the mixed-ligand metal-organic polymeric compound poly[[mu(2)-1,4-bis(imidazol-1-yl)benzene](mu(2)-terephthalato)dizinc(II)], [Zn(2)(C(8)H(4)O(4))(2)(C(12)H(10)N(4))](n) or [Zn(2)(bdc)(2)(bib)](n) [H(2)bdc is terephthalic acid and bib is 1,4-bis(imidazol-1-yl)benzene], the asymmetric unit contains one Zn(II) ion, with two half bdc anions and one half bib molecule lying around inversion centers. The Zn(II) ion is in a slightly distorted tetrahedral environment, coordinated by three carboxylate O atoms from three different bdc anions and by one bib N atom. The crystal structure is constructed from the secondary building unit (SBU) [Zn(2)(CO(2))(2)N(2)O(2)], in which the two metal centers are held together by two bdc linkers with bis(syn,syn-bridging bidentate) bonding modes. The SBU is connected by bdc bridges to form a two-dimensional grid-like (4,4)-layer, which is further pillared by the bib ligand. Topologically, the dinuclear SBU can be considered to be a six-connected node, and the extended structure exhibits an elongated primitive approximately cubic framework. The three-dimensional framework possesses a large cavity with dimensions of approximately 10 x 13 x 17 A in cross-section. The potential porosity is filled with mutual interpenetration of two identical equivalent frameworks, generating a novel threefold interpenetrating network with an alpha-polonium topology [Abrahams, Hoskins, Robson & Slizys (2002). CrystEngComm, 4, 478-482].

(E)-N'-(5-Chloro-2-hydroxy-benzyl-idene)-3,5-dihydroxy-benzohydrazide mono-hydrate.

In the title compound, C(14)H(11)ClN(2)O(4)·H(2)O, the dihedral angle between the two benzene rings is 8.5 (2)° and an intra-molecular O-H⋯N hydrogen bond is observed in the Schiff base mol-ecule. In the crystal structure, the water mol-ecule accepts an N-H⋯O hydrogen bond and makes O-H⋯O hydrogen bonds to two further Schiff base mol-ecules. Further inter-molecular O-H⋯O hydrogen bonds lead to the formation of layers parallel to the bc plane.

(E)-4-Bromo-N'-(2-chloro-benzyl-idene)benzohydrazide.

In the title compound, C(14)H(10)BrClN(2)O, the dihedral angle between the two benzene rings is 11.4 (2)°. In the crystal structure, mol-ecules are connected via inter-molecular N-H⋯O hydrogen bonds into one-dimensional chains running parallel to the c axis.

(E)-N'-(2,5-Dimethoxy-benzyl-idene)-2-(8-quinol-yloxy)acetohydrazide methanol solvate.

The two mol-ecules in the asymmetric unit of the title compound, C(20)H(19)N(3)O(4)·CH(4)O, are paired via O-H⋯(O,N), N-H⋯O, and C-H⋯O hydrogen bonds. The mol-ecular skeleton of the acetohydrazide mol-ecule is close to planar; the benzene and quinoline mean planes form a dihedral angle of 3.9 (3)°. The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds and π-π inter-actions, indicated by short distances of 3.668 (3) Å, between the centroids of N-containing six-membered rings from neighbouring acetohydrazide mol-ecules.

(E)-4-Bromo-N'-(2-hydr-oxy-1-naphthyl-methyl-ene)benzohydrazide.

The title compound, C(18)H(13)BrN(2)O(2), was synthesized by the reaction of 2-hydr-oxy-1-naphthaldehyde with 4-bromo-benzohydrazide. This Schiff base mol-ecule has an E configuration about the C=N bond and is almost planar, the dihedral angle between the mean planes through the substituted benzene ring and the naphthyl system being 6.6 (2)°. There is an intra-molecular O-H⋯N hydrogen bond involving the naphthyl hydr-oxy substituent and the N' atom of the hydrazide group. In the crystal structure, mol-ecules are linked through inter-molecular N--H⋯O hydrogen bonds to form chains extending along the b direction.

2,4-Dihydr-oxy-N'-(4-methoxy-benzyl-idene)benzohydrazide.

The mol-ecule of the title compound, C(15)H(14)N(2)O(4), displays a trans configuration with respect to the hydrazide C=N bond. The dihedral angle between the two benzene rings is 15.0 (2)°. In the crystal structure, mol-ecules are linked through inter-molecular O-H⋯N and O-H⋯O hydrogen bonds, forming layers parallel to the ab plane; an intramolecular N-H⋯O hydrogen bond is also present.

N'-(4-Methoxy-benzyl-idene)-4-nitro-benzo-hydrazide methanol solvate.

The title compound, C(15)H(13)N(3)O(4)·CH(4)O, was synthesized from the reaction of 4-methoxy-benzaldehyde with 4-nitro-benzohydrazide in methanol. The benzene rings of the Schiff base mol-ecule are nearly coplanar, making a dihedral angle of 7.0 (3)°. The methanol solvent mol-ecules are linked to the Schiff base mol-ecules by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, forming chains running parallel to the b axis.

N'-(2-Hydr-oxy-5-chloro-benzyl-idene)-4-nitro-benzohydrazide methanol solvate.

The title compound, C(14)H(10)ClN(3)O(4)·CH(4)O, was synthesized from the reaction of 5-chloro-salicylaldehyde with 4-nitro-benzohydrazide in methanol. The Schiff base mol-ecule is nearly planar, with a dihedral angle of 9.1 (3)° between the two benzene rings. The methanol solvent mol-ecules are linked to the Schiff base mol-ecules by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, forming chains running parallel to the a axis.

3,5-Dihydr-oxy-N'-[(2-hydr-oxy-1-naph-thyl)methyl-ene]benzohydrazide.

In the title compound, C(18)H(14)N(2)O(4), the dihedral angle between the benzene ring and the naphthyl ring system is 10.1 (2)°. The mol-ecule is nearly planar, with a mean deviation from the plane of 0.141 (2) Šfor 24 non-H atoms. An intra-molecular O-H⋯N hydrogen bond forms a pseudo-6-membered ring and the mol-ecules are linked into sheets by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds.

3,4-Dihydr-oxy-N'-(2-hydroxy-benzyl-idene)benzohydrazide-methanol-water (2/1/3).

The asymmetric unit of the title compound, C(14)H(12)N(2)O(4)·0.5CH(4)O·1.5H(2)O, consists of two Schiff base mol-ecules, three water mol-ecules and one methanol mol-ecule. The dihedral angle between the two benzene rings is 7.8 (2)° in one of the mol-ecules and 4.0 (2)° in the other. Intra-molecular O-H⋯O and O-H⋯N hydrogen bonds are observed. Mol-ecules are linked into a three-dimensional network by O-H⋯O and N-H⋯O inter-molecular hydrogen bonds.