Valorization of Java citronella (Cymbopogon winterianus Jowitt) distillation waste as a potential source of phenolics/antioxidant: influence of extraction solvents.

Solid residues obtained after essential oil extraction from Cymbopogon winterianus Jowitt (Java citronella) was explored as a potential source of phenolics/antioxidant. Both the non-distilled plant materials and their solid residues were extracted with Soxhlet extraction method using solvents of various polarity viz. petroleum ether, chloroform, ethyl acetate, acetone, ethanol, methanol, water and various combination of (50% and 75%) of methanol, ethanol, and acetone in water. Different antioxidant assays like 2,2-diphenyl-1- picrylhydrazyl (DPPH), 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) (ABTS), superoxide anion (SO) radical scavenging assay, ferric-reducing antioxidant power (FRAP) and iron chelating ability along with total phenol (TPC) and flavonoid content (TFC) was measured to evaluate the extract. Compared to distilled materials, the non-distilled plant materials had significantly higher TPC/TFC content and also exhibited higher antioxidant activities. 50% aqueous methanol showed the highest extractive yield, whereas 75% aqueous methanol exhibited the highest TPC and TFC content. The 50% or 75% aqueous methanolic extract also exhibited the highest DPPH, ABTS and SO scavenging activity and ferric-reducing antioxidant power activity. However, ethyl acetate and 75% aqueous acetone extract of non-distilled and distilled plant materials, respectively showed the highest iron chelating activity. The half maximal effective concentration (IC50 = µg/mL) for DPPH, ABTS, SO and metal chelating ability in non-distilled plant extract ranged from 64-387, 92-761, 285-870, and 164-924, respectively, and corresponding value of distilled materials ranged from 144-865, 239-792, 361-833 and 374-867, respectively. The EC50 (µg/mL) for FRAP assay ranged from 118-840 and 151-952 for non-distilled and distilled materials, respectively. The findings of this study indicate the potential of these by-products as a natural antioxidants source.

Identification of potential accessions of Asparagus racemosus for root yield and shatavarin IV content.

Successful restoration of over exploited species (Asparagus racemosus) depends upon variability, conservation and cultivation. Twelve elite accessions were characterized for fifteen quantitative and qualitative traits for sustainable cultivation and industrial uses. The evaluated accessions varied in morphology, herbage, root yield and shatavarin IV content. The accession DAR-7 was showing maximum herbage yield (1860 and 1850 g plant-1), fresh root weight (36.33 and 37.33 g plant-1), root girth (18.25 and 18.45 cm) and root yield (14.26 and 12.79 kg plant-1) in both the harvesting years. Shatavarin IV content in roots was maximum in DAR-14 (152.06 and 151.72 µg g-1), followed by DAR-28 (81.16 and 83.16 µg g-1). For economic yield accessions DAR-7, DAR-19, DAR-14, DAR-28 were found superior therefore, they may be further used in crop improvement program as valuable selection. In the cropping system they may act as a viable replacement of traditional crops viz., cumin, gram, cotton and groundnut. Asparagus cultivated under high density plantation ensured high economic return (Rs. 4.87 l ha-1year-1) with 3.66 B: C ratio, therefore, it could be considered a high returns substitute for traditional crops.

First report of cucumber mosaic virus infecting antamul vine (Tylophora indica) in India.

Tylophora indica (Burm f.) Merrill; commonly known as antamul, is an important medicinal herb. Typical yellow rings or irregular yellow spot and in severe condition necrotic rings were observed on the leaves of the crop. The examination of symptomatic leaf samples under transmission electron microscopy revealed the presence of spherical virions confirmed the association of cucumo like virus group. A novel degenerate primers pair was designed by multiple sequence alignment of RdRP region and used in RT-PCR to amplify a ~ 410 bp genomic fragment. The sequence of the amplified fragment shared 97-98% sequence identity with cucumber mosaic virus (CMV). This study is the first report of the association of CMV with the yellow ring symptom of antamul in India.

Synuclein γ protects Akt and mTOR and renders tumor resistance to Hsp90 disruption.

Heat shock protein (Hsp)90 regulates many key pathways in oncogenesis, including Akt and mammalian target of rapamycin (mTOR). The strengths of disruption of Hsp90 in cancer therapy include their versatility in inhibiting a wide range of oncogenic pathways. The present study demonstrated that synuclein γ (SNCG) protects the functions of Akt and mTOR in the condition when the function of Hsp90 is blocked. Disruption of Hsp90 abolished Akt activity and mTOR signaling. However, expression of SNCG restored Akt activity and mTOR signaling. SNCG bound to Akt and mTOR in the presence and absence of Hsp90. Specifically, the C-terminal (Gln106-Asp127) of SNCG bound to the loop connecting αC helix and ß4 sheet of the kinase domain of Akt. SNCG renders resistance to 17-AAG-induced apoptosis both in vitro and in tumor xenograft. A clinical follow-up study indicates that patients with an SNCG-positive breast cancer have a significantly shorter disease-free survival and overall survival than patients with SNCG-negative tumors. The present study indicates that SNCG protects Hsp90 client proteins of Akt and mTOR, and renders drug resistance to Hsp90 disruption.

Novel synthesis of silver nanoparticles using 2,3,5,6-tetrakis-(morpholinomethyl) hydroquinone as reducing agent.

2,3,5,6-Tetrakis-(morpholinomethyl) hydroquinone (TMMH) was used as a reducing agent to synthesize spherical shaped silver nanoparticles in water-ethanol medium without using any stabilizing and capping agents. The reducing agent TMMH is prepared by Mannich-type reaction method and (1)H NMR, (13)C NMR and FT-IR spectroscopy techniques were used to characterize the compound (TMMH). The nature of bonding, structural and optical properties of the final product were analyzed using different techniques such as UV-Vis spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM) and Fourier-transform infrared spectroscopy (FTIR). The interaction between silver and reducing agent was confirmed by using FTIR analysis. The final product obtained showed higher crystallinity with cubic structure and an average crystalline size of about 20 nm. The results revealed that it is possible to synthesize crystalline Ag nanoparticles using organic compound as reducing agent.

Synthesis and in silico evaluation of 1N-methyl-1S-methyl-2-nitroethylene (NMSM) derivatives against Alzheimer disease: to understand their interacting mechanism with acetylcholinesterase.

Anomalous action of human acetylcholinesterase (hAChE) in Alzheimer's disease (AD) was restrained by various AChE inhibitors, of which the specific and potent lead candidate Donepezil is used for treating the disease AD. Besides the specificity, the observed undesirable side effects caused by Donepezil invoked the quest for new lead molecules with the increased potency and specificity for AChE. The present study elucidates the potency of six 1N-methyl-1S-methyl-2-nitroethylene (NMSM) derivatives to form a specific interaction with the peripheral anionic site and catalytic anionic subsite residues of hAChE. The NMSMs were prepared in good yield from 1,1-di(methylsulfanyl)-2-nitroethylene and primary amine (or) amino acid esters. In silico interaction analysis reveals specific and potent interactions between hAChE and selected ligand molecules. The site-specific interactions formed between these molecules also results in a conformational change in the orientation of active site residues of hAChE, which prevents them from being accessed by beta-amyloid protein (Aß), which is a causative agent for amyloid plaque formation and acetylcholine (ACh). In silico interaction analysis between the ligand-bounded hAChE with Aß and ACh confirms this observation. The variation in the conformation of hAChE associated with the decreased ability of Aß and ACh to access the respective functional residues of hAChE induced by the novel NMSMs favors their selection for in vivo analysis to present themselves as new members of hAChE inhibitors.

6-Meth-oxy-N-methyl-3-nitro-4-nitro-methyl-4H-chromen-2-amine.

In the title compound, C(12)H(13)N(3)O(6), the dihydro-pyran ring adopts a near screw-boat conformation. The dihedral angle between the mean planes of the benzene and dihydro-pyran rings is 6.35 (5)°. An intra-molecular N-H⋯O hydrogen bond generates an S(6) motif, which stabilizes the mol-ecular conformation. In the crystal, weak inter-molecular C-H⋯O, N-H⋯O and C-H⋯π hydrogen bonds contribute to the stabilization of the packing.

4-[4-(Diethyl-amino)-phen-yl]-N-methyl-3-nitro-4H-chromen-2-amine.

In the title compound, C(20)H(23)N(3)O(3), the dihydro-pyran ring adopts half-chair conformation. The chromene system makes a dihedral angle of 87.35 (5)° with the adjacent benzene ring. An intra-molecular N-H⋯O hydrogen bond generates an S(6) motif, which stabilizes the mol-ecular conformation. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds contribute to the stabilization of the packing.

5-(4-Chloro-phen-yl)-3-(2,4-dimethyl-thiazol-5-yl)-1,2,4-triazolo[3,4-a]isoquinoline.

In the title mol-ecule, C(21)H(15)ClN(4)S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.054 (2) Šand a maximum deviation of 0.098 (2) Šfrom the mean plane for the triazole ring C atom that is bonded to the thia-zole ring. The thia-zole and benzene rings are twisted by 66.36 (7) and 56.32 (7)°, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. In the crystal structure, mol-ecules are linked by inter-molecular C-H⋯N inter-actions along the a axis. The mol-ecular conformation is stabilized by a weak intra-molecular π-π inter-action involving the thia-zole and benzene rings, with a centroid-centroid distance of 3.6546 (11) Å. In addition, two other intermolecular π-π stacking inter-actions are observed, between the triazole and benzene rings and between the dihydro-pyridine and benzene rings [centroid-centroid distances = 3.6489 (11) and 3.5967 (10) Å, respectively].

5-(4-Chloro-phen-yl)-3-(2-fur-yl)-1,2,4-triazolo[3,4-a]isoquinoline.

In the title mol-ecule, C(20)H(12)ClN(3)O, the triazoloisoquinoline ring system is nearly planar, with an r.m.s. deviation of 0.018 (3) Šand a maximum deviation of 0.034 (3) Šfrom the mean plane for the triazole ring C atom which is bonded to the benzene ring. The furan and benzene rings are twisted by 59.71 (14) and 66.95 (10)°, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. The mol-ecular conformation is stabilized by an intra-molecular π-π inter-action [centroid-to-centroid distance = 3.5262 (18) Å]. The crystal packing is stabilized by weak C-H⋯π inter-actions and weak π-π inter-actions [centroid-to-centroid distance = 3.9431 (17) Å].

4-(5-Phenyl-1,2,4-triazolo[3,4-a]isoquinolin-3-yl)benzonitrile.

In the title mol-ecule, C(23)H(14)N(4), the triazoloisoquinoline ring system is nearly planar, with an r.m.s. deviation of 0.038 (2) Šand a maximum deviation of -0.030 (2) Šfrom the mean plane of the triazole ring C atom which is bonded to the benzene ring. The benzene and phenyl rings are twisted by 57.65 (8) and 53.60 (9)°, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. In the crystal structure, mol-ecules are linked by weak aromatic π-π inter-actions [centroid-centroid distance = 3.8074 (12) Å]. In addition, the crystal structure exhibits a nonclassical inter-molecular C-H⋯N hydrogen bond.

3-(4-Chloro-phen-yl)-5-phenyl-1,2,4-triazolo[3,4-a]isoquinoline.

In the title mol-ecule, C(22)H(14)ClN(3), the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.033 (2) Šand a maximum departure from the mean plane of 0.062 (1) Šfor the triazole ring C atom, bonded to the benzene ring. The benzene and phenyl rings are twisted by 57.02 (6) and 62.16 (6)°, respectively, to the mean plane of the triazoloisoquinoline ring system. The mol-ecule is stabilized by a weak intra-molecular π-π inter-action [centroid-centroid distance = 3.7089 (10) Å] between the benzene and phenyl rings. In the crystal structure, weak inter-molecular C-H⋯N hydrogen bonds and C-H⋯π inter-actions link the mol-ecules.

3-tert-Butyl-1H-isochromene-1-thione.

The title compound, C(13)H(14)OS, crystallizes with two independent mol-ecules in the asymmetric unit. The unit cell contains three voids of 197 Å(3), but the residual electron density (highest peak = 0.24 e Å(-3) and deepest hole = -0.18 e Å(-3)) in the difference Fourier map suggests no solvent mol-ecule occupies this void. The crystal structure is stabilized by π-π inter-actions between the isocoumarin ring systems, with centroid-centroid distances of 3.6793 (14) and 3.6566 (15) Å.

3-Methyl-5-phenyl-1-(3-phenyl-isoquinolin-1-yl)-1H-pyrazole.

The title compound, C(25)H(19)N(3), is composed of an aryl-substituted pyrazole ring connected to an aryl-substituted isoquinoline ring system with a dihedral angle of 52.7 (1)° between the pyrazole ring and the isoquinoline ring system. The dihedral angle between the pyrazole ring and the phenyl ring attached to it is 27.4 (1)° and the dihedral angle between the isoquinoline ring system and the phenyl ring attached to it is 19.6 (1)°.

1-[3-(4-Chloro-phen-yl)isoquinolin-1-yl]-3,5-diphenyl-1H-pyrazole.

The title compound, C(30)H(20)ClN(3), is composed of a diaryl-substituted pyrazole ring connected to an aryl-substituted isoquinoline ring system with a dihedral angle of 65.1 (1)° between the pyrazole ring and the isoquinoline ring system. The 3-phenyl and 4-phenyl substitutents are twisted by 8.1 (1) and 43.0 (1)°, respectively, with respect to the pyrazole ring. The chloro-phenyl ring and the isoquinoline ring system are twisted by 21.2 (1)° with respect to each other.

1-[3-(4-Chloro-phen-yl)isoquinolin-1-yl]-3,5-diethyl-1H-pyrazole.

The title compound, C(22)H(20)ClN(3), is composed of a dialkyl-substituted pyrazole ring connected to an aryl-substituted isoquinoline ring system with a dihedral angle of 55.8 (1)° between the pyrazole ring and and the isoquinoline ring system. The dihedral angle between the chloro-phenyl ring and the isoquinoline ring system is 28.3 (1)°.

2-[2-(Hydroxy-meth-yl)phen-yl]-1-(1-naphth-yl)ethanol.

The mol-ecular conformation of the title compound, C(19)H(18)O(2), is stabilized by an intra-molecular O-H-O hydrogen bond. In addition, inter-molecular O-H-O inter-actions link the mol-ecules into zigzag chains running along the c axis.

5-Phenyl-3-(2-thien-yl)-1,2,4-triazolo[3,4-a]isoquinoline.

In the title mol-ecule, C(20)H(13)N(3)S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.045 Šand a maximum deviation of 0.090 (2) Šfrom the mean plane for the triazole ring C atom which is bonded to the thio-phene ring. The phenyl ring is twisted by 52.0 (1)° with respect to the mean plane of the triazoloisoquinoline ring system. The thio-phene ring is rotationally disordered by approximately 180° over two sites, the ratio of refined occupancies being 0.73 (1):0.27 (1).

3-Benzyl-6-benzyl-amino-1-methyl-5-nitro-1,2,3,4-tetra-hydro-pyrimidine.

In the title compound, C(19)H(22)N(4)O(2), the tetra-hydro-pyrimidine ring adopts an envelope conformation (with the N atom connected to the benzyl group representing the flap). This benzyl group occupies a quasi-axial position. The two benzyl groups lie over the tetra-hydro-pyridimidine ring. The amino group is a hydrogen-bond donor to the nitro group.

1-(3,5-Diethyl-1H-pyrazol-1-yl)-3-phenyl-isoquinoline.

In the title mol-ecule, C(22)H(21)N(3), the isoquinoline ring is almost planar [maximum deviation = 0.046 (1) Å] and makes dihedral angles of 52.01 (4) and 14.61 (4)° with the pyrazole and phenyl rings, respectively. The phenyl ring and the pyrazole ring are twisted by 44.20 (6)° with respect to each other. The terminal C atoms of both of the ethyl groups attached to the pyrazole ring are disordered over two sites with occupancy ratios of 0.164 (7):0.836 (7) and 0.447 (16):0.553 (16). A weak intra-molecular C-H⋯N contact may influence the mol-ecular conformation. The crystal structure is stabilized by C-H⋯π contacts involving the phenyl and pyrazole rings, and by π-π stacking inter-actions involving the pyridine and benzene rings [centroid-centroid distance = 3.5972 (10) Å].