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Coffee pulp is a major by-product generated from coffee bean production and is generally known as waste. This study employed response surface methodology (RSM) with Box Behnken Design (BBD) to determine the impact of extraction parameters and optimise the conditions for recovery of total phenolics, flavonoids, chlorogenic acid, and caffeine from coffee pulp using a commercial microwave-assisted extraction system (MAE) for further applications. The results showed that sample to solvent ratio and ethanol concentration significantly affected the recovery yields of bioactive compounds and antioxidant capacity. There were significant interactive effects between the radiation time and sample to solvent ratio, but no significant interactive impacts between radiation time and ethanol concentration, radiation time and power, sample to solvent ratio and power, and ethanol concentration and power on recovery of bioactive compounds and antioxidant capacity of the coffee pulp extract. The optimal conditions were found to be radiation time of 85 min, sample to solvent ratio of 1:100 g/100 ml, 42.5 % (v/v) aqueous ethanol solution, and machine power of 1000 W. Under these conditions, extraction yields of total phenolic compounds, flavonoids, chlorogenic acid, and caffeine were 38.68, 27.00, 6.95, and 5.47 (mg/g DW), respectively. The extract also had high antioxidant capacities, with values measured by ABTS, DPPH, and FRAP assays as 87.95, 9.3, 65.31 (mg TE/g DW), respectively. These conditions are recommended for the recovery of bioactive compounds from coffee pulp for further applications.

Coffee pulp is a by-product generated from coffee bean production. This waste is a potential source of bioactive compounds, which can be recovered for use as an ingredient for many products. However, this by-product is typically dumped in landfills or made into compost. Ultrasound-assisted extraction (UAE) and microwave-assisted extraction (MAE) were employed to recover bioactive compounds from coffee pulp waste. Results showed that time and instrument power significantly affected the recovery yield in both UAE and MAE. The temperature was also a significant factor in UAE. The optimal MAE conditions were a radiation time of 70 min, a power of 700 W, and a 50% (v/v) ethanol solvent to sample ratio of 100:5 (mL/g), approximately 47 mg of phenolic compounds, 36 mg of flavonoid, 8 mg of chlorogenic acid, and 6 mg of caffeine could be recovered from 1 g of the material. The optimal UAE condition were an ultrasonic time of 35 min, a temperature of 60 °C, and a power of 250 W; however, bioactive compounds and antioxidant capacity constituted around one half of MAE. Therefore, MAE is recommended as the extraction technique for the bioactive compound and antioxidant recovery from the coffee pulp.

Coffee pulp, a by-product of coffee processing, contains high level of flavonoids and other phenolic compounds. This by-product also contains high levels of other bioactive compounds such as chlorogenic acids and caffeine, which can be potentially recovered for further applications. This study used water as an inexpensive green solvent, for the maximum recovery of phenolics, major bioactive compounds and antioxidant capacity from coffee pulp. Recovery yield from optimal aqueous extraction was compared with organic solvent extraction. The results showed that temperature, extraction time and solid/solvent ratio significantly affected recovery yields from coffee pulp (P

Made available in DSpace on 2020-12-10T20:10:10Z (GMT). No. of bitstreams: 0 Previous issue date: 2020-08-14 Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Bill & Melinda Gates Foundation Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) RSC grant DAAD Cambridge Trust Emmanuel College Support Program for Foreign Ph.D. Student and Ibero-American Graduate Association EPSRC Ph.D. fellowship Dihydrofolate reductase (DHFR), a key enzyme involved in folate metabolism, is a widely explored target in the treatment of cancer, immune diseases, bacteria, and protozoa infections. Although several antifolates have proved successful in the treatment of infectious diseases, they have been underexplored to combat tuberculosis, despite the essentiality of M. tuberculosis DHFR (MtDHFR). Herein, we describe an integrated fragment-based drug discovery approach to target MtDHFR that has identified hits with scaffolds not yet explored in any previous drug design campaign for this enzyme. The application of a SAR by catalog strategy of an in house library for one of the identified fragments has led to a series of molecules that bind to MtDHFR with low micromolar affinities. Crystal structures of MtDHFR in complex with compounds of this series demonstrated a novel binding mode that considerably differs from other DHFR antifolates, thus opening perspectives for the development of relevant MtDHFR inhibitors. Univ Sao Paulo, Dept Microbiol, Inst Biomed Sci, BR-05508000 Sao Paulo, SP, Brazil Univ Estadual Campinas, Inst Biol, BR-13083862 Campinas, SP, Brazil Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England State Univ Sao Paulo, IBILCE, Dept Biol, BR-15054000 Sao Jose Do Rio Preto, SP, Brazil Univ Valle, Dept Microbiol, Cali 760043, Colombia Univ Cambridge, Dept Biochem, Cambridge CB2 1GA, England Univ Warwick, Dept Chem, Coventry CV4 7AL, W Midlands, England Natl Lab Biosci, BR-13083100 Campinas, SP, Brazil Univ Sao Paulo, Fac Pharmaceut Sci, Dept Pharm, BR-05508000 Sao Paulo, SP, Brazil State Univ Sao Paulo, IBILCE, Dept Biol, BR-15054000 Sao Jose Do Rio Preto, SP, Brazil FAPESP: 2010/15971-3 FAPESP: 2014/09188-8 FAPESP: 2018/00351-1 FAPESP: 13/15906-5 FAPESP: 17/25733-1 Bill & Melinda Gates Foundation: RG48788 MAAG/555 Bill & Melinda Gates Foundation: PHZF/121 CNPq: 442021/2014-3 RSC grant: RF-17-9399 Support Program for Foreign Ph.D. Student and Ibero-American Graduate Association: PAEDEx/AUIP2014

Edible films and coatings have currently received increasing interest because of their potential in food applications. This study examined the effect of incorporated essential oils and natural plant extracts on the characteristics of the composite seaweed hydrocolloid and gac pulp films. Films were prepared by a casting technique, followed by measurement of physical, optical, barrier, mechanical, and structural properties. The results showed that adding plant oils and extracts significantly affected the physical, optical, mechanical, and structural properties of the composite films. Incorporation of the essential oils resulted in a reduction in moisture content and opacity while increasing values for Hue angle and elongation at break of the composite films. Besides, incorporation of the plant extracts showed increases in thickness, opacity, ΔE, Chroma, and elongation at the break, while there is a decrease in the Hue angle values of the composite films. In conclusion, incorporating plant essential oils and extracts into composite seaweed hydrocolloid and gac pulp films can enhance film properties, which can potentially be applied in food products.

The effect of UV-C irradiation on antifungal properties of orange essential oil (EO) against Penicillium digitatum in inoculated Navel oranges was examined. The UV-C irradiation of orange EO resulted in a 20% loss of the major constituent, limonene, and the generation of three hydroperoxide oxidation products, (2S,4R)-p-mentha-6,8-diene-2-hydroperoxide,(1S,4R)-p-mentha-2,8-diene-1-hydroperoxide, and (1R,4R)-p-mentha-2,8-diene-1-hydroperoxide. The P. digitatum growth in oranges dipped in non-irradiated orange EO at 1000&ndash, 4000 &micro, L L&minus, 1 was not significantly different to control the fruit. Dipping in UV-C treated orange EO inhibited the growth of P. digitatum with 4000 &micro, 1 having the greatest effect. No phytotoxic injury to the rind was observed at any concentration. Citral, as a known antifungal chemical, was included for comparison. The non-irradiated citral (1000 &micro, 1) was more effective than irradiated orange EO, but elicited rind phytotoxicity. The irradiated citral was less effective in inhibiting P. digitatum growth with the loss of citral, but not hydroperoxide formation. These results suggest UV-C irradiated orange EO as a potential alternative to synthetic fungicides to inhibit P. digitatum decay. The source of orange EO could be waste flavedo generated by the orange juice processing industry.

Dihydrofolate reductase (DHFR), a key enzyme involved in folate metabolism, is a widely explored target in the treatment of cancer, immune diseases, bacteria, and protozoa infections. Although several antifolates have proved successful in the treatment of infectious diseases, they have been underexplored to combat tuberculosis, despite the essentiality of

Dihydrofolate reductase (DHFR), a key enzyme involved in folate metabolism, is a widely explored target in the treatment of cancer, immune diseases, bacteria and protozoa infections. Although several antifolates have proved successful in the treatment of infectious diseases, none have been developed to combat tuberculosis, despite the essentiality of M. tuberculosis DHFR (MtDHFR). Herein, we describe an integrated fragment-based drug discovery approach to target MtDHFR that has identified hits with scaffolds not yet explored in any previous drug design campaign for this enzyme. The application of a SAR by catalog strategy of an in house library for one of the identified fragments has led to a series of molecules that bind MtDHFR with low micromolar affinities. Crystal structures of MtDHFR in complex with compounds of this series demonstrated a novel binding mode that differs from other DHFR antifolates, thus opening perspectives for the development of novel and relevant MtDHFR inhibitors.

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