01871nas a2200181 4500008004100000022001400041245015600055210006900211260009100280300001600371490000600387520106700393100002001460700001801480700004301498700001701541856013101558 2013 eng d a1932-620300aIsolation, purification and characterization of vinblastine and vincristine from endophytic fungus fusarium oxysporum isolated from catharanthus roseus0 aIsolation purification and characterization of vinblastine and v a1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USAbPUBLIC LIBRARY SCIENCEcSEP aUNSP e718050 v83 a

Endophytic fungi reside in a symbiotic fashion inside their host plants, mimic their chemistry and interestingly, produce the same natural products as their hosts and are thus being screened for the production of valuable compounds like taxol, camptothecin, podophyllotoxin, etc. Vinblastine and vincristine are excellent anti-cancer drugs but their current production using plants is non-abundant and expensive. In order to make these drugs readily available to the patients at affordable prices, we isolated the endophytic fungi from Catharanthus roseus plant and found a fungus AA-CRL-6 which produces vinblastine and vincristine in appreciable amounts. These drugs were purified by TLC and HPLC and characterized using UV-Vis spectroscopy, ESI-MS, MS/MS and H-1 NMR. One liter of culture filtrate yielded 76 mu g and 67 mu g of vinblastine and vincristine respectively. This endophytic fungal strain was identified as Fusarium oxysporum based upon its cultural and morphological characteristics and internal transcribed spacer (ITS) sequence analysis.

1 aKumar, Ashutosh1 aPatil, Deepak1 aRajamohanan, Pattuparambil, Ramanpilla1 aAhmad, Absar uhttps://library.ncl.res.in/content/isolation-purification-and-characterization-vinblastine-and-vincristine-endophytic-fungus-001949nas a2200229 4500008004100000022001400041245007300055210006900128260011100197300001200308490000700320520110300327653001901430653001701449653000801466653002501474653002201499100003301521700004301554700001501597856010701612 2015 eng d a1386-207300aPrediction of bioactive compounds using computed NMR chemical shifts0 aPrediction of bioactive compounds using computed NMR chemical sh aEXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATESbBENTHAM SCIENCE PUBL LTDcJAN a562-5760 v183 a

NMR based chemical shifts are an important diagnostic parameter for structure elucidation as they capture rich information related to conformational, electronic and stereochemical arrangement of functional groups in a molecule which is responsible for its activity towards any biological target. The present work discusses the importance of computing NMR chemical shifts from molecular structures. The NMR chemical shift data (experimental or computed) was used to generate fingerprints in binary formats for mapping molecular fragments (as descriptors) and correlating with the bioactivity classes. For this study, chemical shift data derived binary fingerprints were computed for 149 classes and 4800 bioactive molecules. The sensitivity and selectivity of fingerprints in discriminating molecules belonging to different therapeutic categories was assessed using a LibSVM based classifier. An accuracy of 82% for proton and 94% for carbon NMR fingerprints were obtained for anti-psoriatic and anti-psychotic molecules demonstrating the effectiveness of this approach for virtual screening.

10aChemical shift10afingerprints10aNMR10asimilarity searching10avirtual screening1 aKarthikeyan, Muthukumarasamy1 aRajamohanan, Pattuparambil, Ramanpilla1 aVyas, Renu uhttps://library.ncl.res.in/content/prediction-bioactive-compounds-using-computed-nmr-chemical-shifts-001975nas a2200169 4500008004100000245011700041210006900158260000800227300001600235490000700251520131000258100002101568700002201589700004301611700002701654856012401681 2016 eng d00aTemplate determines whether chemically identical nanoparticle scaffolds show elastic recovery or plastic failure0 aTemplate determines whether chemically identical nanoparticle sc cNOV a11623-116300 v323 a

Subtle variations in the preparation of ice-templated nanoparticle assemblies yield monoliths that are chemically identical but exhibit qualitatively different mechanical behavior. We ice template aqueous dispersions to prepare macroporous monoliths largely comprising silica nanoparticles held together by a crosslinked polymer mesh. When the polymer is crosslinked in the presence of ice crystals, we obtain an elastic sponge that is capable of recovery after imposition of large compressive strains (up to 80%). If, however, the ice is lyophilized before the polymer is crosslinked, we obtain a plastic monolith that fails even for modest strains (less than 10%). The elastic sponge and the plastic monolith are chemically identical; they have the same organic content, the same ratio of polymer to crosslinker, and the same average crosslink density. Atomic force microscopy (AFM) was used to probe the local mechanical properties of the crosslinked polymer mesh. These measurements indicate that plastic monoliths dissipate significantly more energy and have a larger spatial variation in local mechanical response relative to the elastic sponges. We believe that this behavior might correlate with a wider spatial distribution of crosslinks in plastic scaffolds relative to elastic scaffolds.

1 aSuresh, Karthika1 aPatil, Shivprasad1 aRajamohanan, Pattuparambil, Ramanpilla1 aKumaraswamy, Guruswamy uhttps://library.ncl.res.in/content/template-determines-whether-chemically-identical-nanoparticle-scaffolds-show-elastic01783nas a2200217 4500008004100000245012500041210006900166260000800235300001200243490000700255520097800262100001701240700002101257700001301278700002201291700002601313700004301339700002501382700002601407856013201433 2017 eng d00aOptimization for the production of mycelial biomass from Benjaminiella poitrasii to isolate highly deacetylated chitosan0 aOptimization for the production of mycelial biomass from Benjami cMAR a145-1560 v343 a

Benjaminiella poitrasii, a dimorphic zygomycetous fungus contains more chitosan in the mycelial cell wall than the cell wall of its yeast form. The optimized medium containing yeast extract, peptone, MgSO4, KH2PO4, trace metals (Fe2+, Mn2+ Zn2+ and Co2+ ) solution and 1% starch produced 10-12 g/L(dry wt.) of mycelial biomass in 48 h in a 2L fermenter. Using 1N NaOH treatment from 1 g of dried biomass 51.00 ± 0.52 mg of chitosan of 42.82 KDa molecular weight and 94.24 % degree of deacetylation was extracted. With Metarhizium anisopliae chitin deacetylase (CDA), chitosan yield was 59.00 ± 0.84 mg while treatment with CDA of B. poitrasii it was 78.05 ± 0.58 mg/g of dry wt. of biomass. The chitosan dissolved in 2% acetic acid showed higher antifungal activity against Candida albicans (MIC90 0.025 mg/mL) and Candida glabrata (MIC90 0.2 mg/mL) than chitosan extracted from marine source (MIC90 >1.6 mg/mL) suggesting use of fungal chitosan in healthcare.

1 aMane, S., R.1 aPathan, Ejaj, K.1 aKale, D.1 aGhormade, Vandana1 aGadre, Ramchandra, V.1 aRajamohanan, Pattuparambil, Ramanpilla1 aBadiger, Manohar, V.1 aDeshpande, Mukund, V. uhttps://library.ncl.res.in/content/optimization-production-mycelial-biomass-benjaminiella-poitrasii-isolate-highly-deacetylated01933nas a2200253 4500008004100000022001400041245014900055210006900204260000800273300001200281490000700293520097800300653002501278653003801303653002601341653001301367653002301380653003001403100001701433700003001450700004301480700002601523856013001549 2022 eng d a0959-810300aInvestigation of domain structures in monomethoxy poly(ethylene glycol)-b-poly(caprolactone) grafted poly(acrylic acid) by NMR diffusion studies0 aInvestigation of domain structures in monomethoxy polyethylene g cAUG a976-9840 v713 a

Associating polymers developed by grafting a block copolymer of monomethoxy poly(ethylene glycol)-b-poly(caprolactone) (MPEG-b-PCL) onto poly(acrylic acid) undergo an irreversible sol-gel transition on heating. The influence of various physicochemical parameters on the thermoresponsive behaviour was examined by rheology and NMR studies. Pulsed field gradient NMR diffusion studies were performed to probe the mechanism of thermally induced gelation. Analysis of the diffusion data reveals the presence of loosely and strongly associated structures which respond differently to variation in temperature. It is observed that the polymer solution, which is visibly homogeneous, is heterogeneous on a mesoscopic scale with a distribution of domains. Detailed investigation of the thermally induced sol-gel transition shows that the mechanism of gelation involves irreversible alterations in the domain structure and size. (c) 2022 Society of Industrial Chemistry.

10aassociating polymers10ahydrophobically modified polymers10aNMR diffusion studies10aRheology10asol-gel transition10athermoresponsive polymers1 aTiwari, Neha1 aBadiger, Manohar, Virupax1 aRajamohanan, Pattuparambil, Ramanpilla1 aRavindranathan, Sapna uhttps://library.ncl.res.in/content/investigation-domain-structures-monomethoxy-polyethylene-glycol-b-polycaprolactone-grafted