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This report summarises the study of a general purpose detector for the FCC-hh, a 100 TeV hadron collider with peak luminosity of $3 ⋅ 10^{35}$ cm$^{-2}$s${-1}$. A pileup of 1000 pp collisions per bunch-crossing, highly boosted objects as well as radiation levels up to 10$^{18}$ hadrons/cm$^2$ are just three of the challenges that such a collider poses. The general specifications for such a detector in terms of resolution, granularity, acceptance and radiation tolerance are discussed. A specific detector layout is proposed and its performance is simulated, discussed and parameterized. This parameterization is then used to evaluate the performance for key benchmark physics topics, such as the precision measurement of the Higgs boson couplings and the discovery reach for several frameworks beyond the Standard Model.

A series of new thiosemicarbazones derived from natural diterpene kaurenoic acid were synthesized and tested against the epimastigote forms of Trypanosoma cruzi to evaluate their antitrypanosomal potential. Seven of the synthesized thiosemicarbazones were more active than kaurenoic acid with IC50 values between 2-24.0 mM. The o-nitro-benzaldehyde-thiosemicarbazone derivative was the most active compound with IC50 of 2.0 mM. The results show that the structural modifications accomplished enhanced the antitrypanosomal activity of these compounds. Besides, the thiocyanate, thiosemicarbazide and the p- methyl, p-methoxy, p-dimethylamine, m-nitro and o-chlorobenzaldehyde-thiosemicarbazone derivatives displayed lower toxicity for LLMCK2 cells than kaurenoic acid, exhibing an IC50 of 59.5 mM.

The methanol extract of Urvillea ulmaceae Kunth (Sapindaceae) aerial parts and the hexane, ethyl acetate, and hydromethanol fractions were evaluated for their free radical scavenging activity with the DPPH assay. Among all the tested fractions, the ethyl acetate fraction was the most active, exhibiting an IC50 of 16.33 μg/mL, comparable to that of the commercial antioxidant BHT. Fractionation of the ethyl acetate fraction through chromatographic methods afforded trans-N-methyl-5-hydroxypipecolic acid, epicatechin, and proanthocyanidin A2 as the main constituents. Epicatechin and proanthocyanidin A2 showed potent DPPH radical scavenging activity, with IC50 values of 18.34 and 11.45 μg/mL, respectively. A new compound, trans-N-methyl-5-hydroxypipecolic acid, did not show any antioxidant effect (IC50 > 500 μg/mL).

The antibacterial and antifungal properties of ethanolic extract of the leaves of Pedilanthus tithymaloides and some of its constituents were investigated by the dilution method.

Chemical recycling of poly(ethylene terephthalate) (PET) in supercritical ethanol has been investigated. In the presence of water, under supercritical conditions (temperature and pressure above 516 K and 6,384 kPa, respectively) excess ethanol reacts with PET to form diethyl terephthalate (DET) as the main product. A laboratory-made 0.1 L-batch reactor was used at 528 K under pressures from 7,600 and 11,600 kPa. After the required reaction times, the reaction products were analyzed by reverse phase high pressure liquid chromatography and nuclear magnetic resonance. It was found that PET is completely depolymerized into monomers in about 5 h. The influences of water, pressure, ethanol/PET weight ratio, PET sources, as well as depolymerization time were investigated. Maximum DET recovery yield was 98.5%. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 101: 2009–2016, 2006

The influence of iron(III)-chloride-6-hydrate, FeCl3� 6H2O on the photodegradation of polychloroprene under different conditions has been investigated. The effects of polymer concentration (Cp), temperature (T ), and polychromatic light exposure (L) on polymer degradation were evaluated using a 2 3 factorial design. The photodegradation rate constant was determined through solution efflux time data in an Ubbelohde capillary viscometer and FTIR spectroscopy. Polychloroprene/FeCl3� 6H2O photodegradation residues were investigated by GCeMS and FTIR spectroscopy. By efflux time data, it was verified that in contrast to Cp and light exposure, which play a significant role in polychloroprene degradation, temperature does not affect it. Degradation does not occur in the absence of light. Efflux time and FTIR data characterized the reaction as having second-order kinetics. Exposure of polychloroprene/FeCl3� 6H2O solution to polychromatic light induces polymer structure changes, as observed by GCeMS and FTIR. After photodegradation, intense spectral changes in conjugated carbonyl and hydroxyl bands were observed by FTIR. One of the degradation products was characterized as acid chloride (C3H5ClO). Due to the influence of water and light on FeCl3 catalyses, the reaction was characterized as a Photo-Fenton process. 2004 Elsevier Ltd. All rights reserved.

A methanolic extract from leaves of Luehea divaricata (Tiliaceae), known in Brazil as "acoita-cavalo", yielded two triterpene: a novel characterized as 3b-p-hydroxybenzoyloxytormentic acid [3b-(p-hydroxybenzoyloxy)-2a-hydroxyurs-12-en-28-oic acid] and a mixture containing the maslinic acid. The new compound's structure was established by spectroscopic methods.

Methanol extract obtained from Kielmeyera variabilis stems showed significant molluscicidal activity against Biomphalaria glabrata. The phytochemical studies of the plants stem to the isolation of three xanthones (assiguxanthone-B, kielcorin and 1,3,5,6-tetrahtydroxy-2-prenylxanthone) and a organic acid (2,5-dihydroxy benzoic acid). The structures of these compounds were identified by IR, MS, ¹H and 13C NMR spectral analysis and comparison with literature data.

The degradation of natural rubber (NR) induced by chloranil and FeCl3, in solution, was investigated by efflux time measurements and by FTIR and 1H NMR spectroscopies. GC–MS was used to investigate the influence of chloranil on residues generated during thermal degradation of NR. 2-Methyl-2-butene (MB) was used as a model compound for the reactions. The results show that the reaction occurs by the scission of the double bond. The reactions were characterised by second-order kinetics, independent of the catalyst. The rate constants determined from efflux time data show a strong contribution of the physical entanglements: if the reactants are diluted 10-fold the value of the rate constant decreases significantly. Thus, the rate constants were more realistically calculated from the changes in the CC concentration measured by 1H NMR. The rate constants for the reaction of MB and chloranil (or FeCl3) are lower than for the corresponding NR degradation. The presence of chloranil does not alter the chromatogram profile obtained by GC–MS for the thermal degradation of NR. It is concluded that chloranil decreases the activation parameters for the degradation because the degradation products are the same as those obtained thermally in absence of chloranil. Activation parameters such as energy, enthalpy, entropy and Gibbs energy were determined. Activation energies (in kJ mol−1) for the degradation of NR are 60.1 for NR/chloranil and 41.9 for NR/FeCl3. From the values of activation parameters, it was suggested that the activation step of the reaction induced by chloranil is more thermally dependent than the reaction induced by FeCl3 that, otherwise, is more entropically dependent.

A novel triterpene, characterized as 6alpha-hydroxybetulinic acid, was isolated from the leaves and stems of Eugenia moraviana (Myrtaceae), known in Brazil as Cambuí, together with three known compounds, platanic acid, betulinic acid and beta-sitosterol. Unequivocal ¹H and 13C assignments of 6alpha-hydroxybetulinic acid (3beta,6alpha-dihydroxy-20(29)-lupen-28-oic acid) and platanic acid were undertaken by spectral analysis including NOE and 2 D NMR experiments. Um novo triterpeno caracterizado como ácido 6alfa-hidroxibetulínico foi isolado das folhas e caule da planta, vulgarmente conhecida no Brasil como Cambuí, Eugenia moraviana (Myrtaceae), juntamente com três outras substâncias conhecidas, identificadas como ácido platânico, ácido betulínico e beta-sitosterol. Através da análise de espectros incluindo NOE e experimentos de RMN em duas dimensões foi realizada a atribuição inequívoca dos deslocamentos químicos de ¹H e de 13C do ácido 6alfa-hidroxibetulínico(ácido-3beta,6alfa-diidróxi-20(29)-lupen-28-óico) e do ácido platânico.

The chemical investigation of Heliotropium transalpinum var. transalpinum Vell. (Boraginaceae) led to the isolation of transalpinecine (1), a novel pyrrolizidine alkaloid, in addition to known alkaloids subulacine (1β-2β-epoxy-1α-hydroxymethyl-8α-pyrrolizidine) (2), and 1α-2α-epoxy-1β-hydroxymethyl-8α-pyrrolizidine (3). The structures of the isolated compounds were elucidated based on spectroscopic data and theoretical calculations.

The phytochemical investigation of Chomelia obtusa leaves led to the isolation of four triterpenes (3-O-β-D-quinovopyranosyl-28-O-β-D-glycopyranosyl quinovic acid, 3-O-β-D-quinovopyranosyl-28-O-β-D-glycopyranosyl cincholic acid, and a mixture of ursolic and oleanolic acids), two flavonoids (3-O-β-D-glycopyranosyl quercetin, 3-O-[α-L-rhamnopyranosyl-(1→6)-β-D-galactopyranoside] quercetin), besides bornesitol and a mixture of 3,5- and 4,5-O-dicaffeoyl quinic acids. The structures of the isolated compounds were assigned on the basis of spectroscopic data, including two-dimensional NMR methods. The anti-inflammatory and antioxidant activities of the crude methanolic extract and of its fractions were evaluated. This is the first report on the chemical and biological investigation of the Chomelia genus.

The methanol extract of Randia hebecarpa. Benth. (Rubiaceae) leaves was evaluated for anti-inflammatory activity using carrageenan- and dextran-induced rat paw edema models. Antioxidant activities of the methanol extract and of the fractions resulting from its partition were also measured using the 1,1-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging assay and the linoleic acid peroxidation method. The methanol extract, ethyl acetate fraction, and hydromethanol fraction exhibited percent inhibition of lipid peroxidation comparable to that of commercial antioxidant butylated hydroxytoluene (BHT). Fractionation of the ethyl acetate and hydromethanol fractions through chromatographic methods yielded kaempferol-3, 7-O.-α.-L-dirhamnoside, kaempferol-3-O.-β.-D-galactoside, quercetin-3-O.-β.-D-galactoside, myricetin-3-O.-α.-L-rhamnoside, kaempferol-3-O.-α.-L-rhamnosyl-(1 → 6)-β.-D-galactosyl-7-O.-α.-L-rhamnoside, quinovic acid-3-O.-β.-D-quinovopyranosil-28-O.-β.-D-glucopyranoside, cincholic acid ...

A phytochemical study of the ethyl acetate fractions from the partition of seeds and roots methanol extracts of Cenchrus echinatus L. led to the isolation of three resveratrol-derived stilbenoids: pallidol (1), carasiphenol C (2) and nepalensinol B (3). The results of a topic anti-inflammatory evaluation, DPPH assay and antiproliferative activity against adenocarcinoma cells (Caco 2) are described.

Transesterification and epoxide ring-opening reactions are two mechanism routes that explain chemical modifications of macromolecules by glycidyl methacrylate (GMA). Although the coupling reaction of the GMA with macromolecules has widely been investigated, there are still mechanisms that remain to be explained when GMA is processed in an aqueous solution at different pH conditions. To this end, reaction mechanisms of poly(vinyl alcohol) (PVA) and poly(acrylic acid) (PAAc) by GMA in water in acidic and basic conditions were investigated thoroughly. The presence of hydroxyl groups in PVA and carboxyl groups in PAAc allowed for a better evaluation of the reaction mechanisms. The analysis of the (1)H and (13)C NMR spectra clearly demonstrated that the chemical reactions of GMA with carboxyl groups and alcohols of the macromolecules in an aqueous solution are dependent on pH conditions. At pH 3.5, the GMA reacts with both the carboxylic and the hydroxyl groups through an epoxide ring-opening mechanism. At pH 10.5, the GMA undergoes a hydrolysis process and reacts with hydroxyl groups by way of both the transesterification and the epoxide ring-opening mechanisms, whereas the ring-opening reaction is the preferential pathway.

From the aerial parts of Bouchea fluminensis , a new iridoid glucoside, named boucheoside, along with four known iridoid glucosides, lamiide, lamiidoside, durantoside II, and duranterectoside C, were isolated. The structure of the new compound was elucidated based on the spectroscopic evidence.

PETs/PHB blends with different compositions were produced by “casting” method. The blends were investigated by TGA, DSC, 1H and 13C NMR and FTIR. Phase separation occurred during blend preparation. PETs and PHB were present in both formed phases. The phases presented different thermal stabilities unrelated to phase component concentration changes. The miscibility study by DSC showed that PHB-phase rich blends are immiscible, whereas the PETs-rich phase blends are miscible. The 1H NMR spectra of the miscible blends exhibited a peak close to the PHB methylene signal, which is in accordance with the interaction between the PETs SO3 - groups and the PHB carbonyl groups. This interaction result in a shift of the PHB carbonyl group absorption band in the FTIR spectra and a variation in the chemical shift of the PHB carbonyl group resonance peak in solid state 13C NMR. No specific interaction was observed for the immiscible blends.

A methanolic extract from leaves of Luehea divaricata (Tiliaceae), known in Brazil as "açoita-cavalo", yielded two triterpene: a novel characterized as 3beta-p-hydroxybenzoyloxytormentic acid [3beta-(p-hydroxybenzoyloxy)-2alpha-hydroxyurs-12-en-28-oic acid] and a mixture containing the maslinic acid. The new compound's structure was established by spectroscopic methods. Um extrato metanólico das folhas de Luehea divaricata (Tiliaceae), vulgarmente conhecida no Brasil como "açoita-cavalo", forneceu um novo triterpeno caracterizado como ácido 3beta-p-hidroxibenzoiloxitormentico [ácido 3beta-(p-hidroxibenzoiloxi)-2alfa-hidroxiurs-12-en-28-óico], juntamente com uma mistura contendo o ácido maslínico, um triterpeno conhecido. As estruturas dos compostos foram estabelecidas por métodos espectroscópicos.

Methanol extract obtained from Kielmeyera variabilis stems showed significant molluscicidal activity against Biomphalaria glabrata. The phytochemical studies of the plants stem to the isolation of three xanthones (assiguxanthone-B, kielcorin and 1,3,5,6-tetrahtydroxy-2-prenylxanthone) and a organic acid (2,5-dihydroxy benzoic acid). The structures of these compounds were identified by IR, MS, ¹H and 13C NMR spectral analysis and comparison with literature data.

There are NMR data of 1H and 13C of the iridoid plumieride, but controversy related to the assignments of the protons H-3 or H-10 and carbons C-6 or C-7 and C-3 or C-10 are described in the literature. There are a little discussion regarding to the resonance assignment of protons of the glycoside unity. Analysis based on 2D shift correlated NMR spectra (COSY, HETCOR, HETCORLR) and NOE difference 1H NMR spectra allowed to assign unambigously the chemical shift of 1H and 13C of plumieride which has been found in the literature with non coincident values.