RESUMEN

Molecular doping is a key strategy to enhance the electrical conductivity of organic semiconductors. Typically, the electrical conductivity shows a maximum value upon increased doping, after which the conductivity decreases. This decrease in conductivity is commonly attributed to unfavorable changes in the morphology. However, in recent simulation work, has shown, that the conductivity-at high doping-is instead limited by electron-electron repulsion rather than by morphology, at least for some material combinations. Based on the simulations, this limitation is expected to show up in the dependence of the Seebeck coefficient versus carrier density: the Seebeck coefficient will follow Heike's formula if carrier-carrier repulsion limits the conductivity. Here, the electrical conductivity and Seebeck coefficient are measured as a function of doping for a series of n-type organic semiconductors. Additionally, the resulting carrier density is measured using metal-insulator-semiconductor diodes, which link dopant loading and the number of charge carriers. At high carrier densities, the Seebeck coefficient indeed follows Heike's formula, confirming that the conductivity is limited by carrier-carrier repulsion rather than by morphological effects. This study shows that current models of hopping transport in organic semiconductors may be incomplete. As a result, this study offers novel insights in the design of organic semiconductors.

RESUMEN

By using a scaffold hopping/ring equivalent and intermediate derivatization strategies, a series of compounds of 2,5-diphenyl-1,3-oxazoline with substituent changes at the 5-phenyl position were prepared, and their acaricidal activity was studied. However, the synthesized 2,5-diphenyl-1,3-oxazolines showed lower activity against mite eggs and larvae compared to the 2,4-diphenyl-1,3-oxazolines with the same substituents. We speculate that there is a significant difference in the spatial extension direction of the substituents between the two skeletons of compounds, resulting in differences in their ability to bind to the potential target chitin synthase 1. This work is helpful in inferring the internal structure of chitin synthase binding pockets.

Asunto(s)

Acaricidas , Oxazoles , Acaricidas/química , Acaricidas/farmacología , Acaricidas/síntesis química , Animales , Oxazoles/química , Oxazoles/síntesis química , Oxazoles/farmacología , Diseño de Fármacos , Relación Estructura-Actividad , Ácaros/efectos de los fármacos , Estructura Molecular , Larva/efectos de los fármacos , Quitina Sintasa/antagonistas & inhibidores , Quitina Sintasa/metabolismo

RESUMEN

In this study, a series of novel thieno [3, 2-b]pyridinone derivatives were designed and synthesized using a scaffold hopping strategy. Six compounds showed potent anti-mycobacterial activity (minimum inhibitory concentration (MIC) ≤ 1 µg/mL) against Mycobacterium tuberculosis (Mtb) UAlRa. Compound 6c displayed good activity against Mtb UAlRv (MIC = 0.5-1 µg/mL). Compounds 6c and 6i also showed activity against Mtb UAlRa in macrophages and exhibited low cytotoxicity against LO-2 cells. The selected compounds displayed a narrow antibacterial spectrum, with no activity against representative Gram-positive, Gram-negative bacteria, as well as fungi. Furthermore, compound 6c demonstrated favorable oral pharmacokinetic properties with a T1/2 value of 47.99 h and exhibited good in vivo activity in an acute mouse model of tuberculosis (TB). The target of compound 6c was identified as a NADH-dependent enoyl-acyl carrier protein reductase (InhA) by genome sequencing of spontaneously compound 6c-resistant Mtb mutants, indicating that compound 6c may not require activation and can directly target InhA. In vitro antimicrobial assays against a recombinant M. smegmatis overexpressing the Mtb-InhA, along with InhA inhibition assays, confirmed that InhA is the target of thieno [3, 2-b]pyridinone derivatives. Overall, this study identified thieno [3, 2-b]pyridinone scaffold as a novel chemotype that is promising for the development of anti-TB agents.

RESUMEN

Isoxazoline insecticides have shown broad-spectrum insecticidal activity against a variety of insect pests. However, the high toxicity of isoxazoline compounds towards honeybees restricts their application in crop protection. To mitigate this issue, a series of isoxazoline derivatives containing 2-phenyloxazoline were designed and synthesized. Bioassays revealed that several compounds exhibited promising insecticidal activities against Plutella xylostella, with G28 showing particularly excellent insecticidal activity, reflected by an LC50 value of 0.675 mg/L, which is comparable to that of fluxametamide (LC50 = 0.593 mg/L). Furthermore, G28 also exhibited effective insecticidal activity against Solenopsis invicta. Importantly, bee toxicity experiments indicated that G28 had significantly lower acute oral toxicity (LD50 = 2.866 µg/adult) compared to fluxametamide (LD50 = 1.083 µg/adult) and fluralaner (LD50 = 0.022 µg/adult), positioning it as a promising candidate with reduced toxicity to bees. Theoretical simulation further elucidated the reasons for the selective differences in the ability of isoxazoline to achieve higher insecticidal activity while maintaining lower bee toxicity. This research suggests that isoxazoline compounds containing 2-phenyloxazoline group hold potential as new insecticide candidates and offers insights into the development of novel isoxazoline insecticides with both high efficacy and environmental safety.

Asunto(s)

Diseño de Fármacos , Insecticidas , Isoxazoles , Mariposas Nocturnas , Oxazoles , Insecticidas/síntesis química , Insecticidas/química , Insecticidas/farmacología , Insecticidas/toxicidad , Animales , Oxazoles/química , Oxazoles/toxicidad , Isoxazoles/farmacología , Isoxazoles/química , Mariposas Nocturnas/efectos de los fármacos , Abejas/efectos de los fármacos , Relación Estructura-Actividad

RESUMEN

We report a strategy for the C-N cross-coupling of tertiary amines via the in situ generation and displacement of N-acyl ammonium species. Specifically, treatment of diverse tertiary amines with TFAA or choroformates in the presence of NaI leads to the efficient generation of alkyl iodides, which can be engaged directly in Ni-catalyzed cross-couplings. The protocol is applicable to acyclic and cyclic systems, including highly hindered variants. Applications to the late-stage modification of complex heterocycles are presented.

RESUMEN

BACKGROUND: The sustainable control of weed populations is a significant challenge facing farmers around the world. Although various methods for the control of weeds exist, the use of small molecule herbicides remains the most effective and versatile approach. Striving to find novel herbicides that combat resistant weeds via the targeting of plant specific modes of action (MoAs), we further investigated the bicyclic class of acyl-acyl carrier protein (ACP) thioesterase (FAT) inhibitors in an effort to find safe and efficacious lead candidates. RESULTS: Utilizing scaffold hopping and bioisosteric replacements strategies, we explored new bicyclic inhibitors of FAT. Amongst the investigated compounds we identified new structural motifs that showed promising target affinity coupled with good in vivo efficacy against commercially important weed species. We further studied the structure-activity relationship (SAR) of the novel dihydropyranopyridine structural class which showed promise as a new type of FAT inhibiting herbicides. CONCLUSION: The current work presents how scaffold hopping approaches can be implemented to successfully find novel and efficacious herbicidal structures that can be further optimized for potential use in sustainable agricultural practices. The identified dihydropyranopyridine bicyclic class of herbicides were demonstrated to have in vitro inhibitory activity against the plant specific MoA FAT as well as showing promising control of a variety of weed species, particularly grass weeds in greenhouse trials on levels competitive with commercial standards. © 2024 The Author(s). Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.

RESUMEN

The concept of bioisostere replacement is of paramount importance in medicinal chemistry, as it can be employed as a rational to expand bioactive chemical space to tackle lead optimization issues like lack of potency, efficacy, and selectivity or pharmacokinetic/dynamic issues. One of the most important building blocks (in the sense of participating in a vast area of chemical space of biological importance) in medicinal chemistry is the 2-phenethyl moiety, a key component of diverse drug-like entities. Although the core 2-phenethylamine structure has been recognized by the drug discovery community, little attention has been given to the various ring-based rescaffolding procedures that can be conducted with this unit. In this regard, a review on the use of 2-heteroarylethylamines displaying pharmacological activity is reported. A detailed description of flexible, amine-opened motifs is provided, that describes therapeutic targets and other potent bioactive examples, which will be a valuable repository of phenyl, heteroaryl, and other replacement units of high value to the drug discovery community.

RESUMEN

Insect transient receptor potential vanilloid (TRPV) channels are critical targets for insecticides. In this study, various scaffold-hopping strategies were employed in the rational design of pyridylhydrazono derivatives as potential insect TRPV channels modulators. Insecticidal bioassay demonstrated that the initial target compounds exhibited lower insecticidal activity compared to pymetrozine, with the optimal compound B3 exhibiting a mortality rate of 53.3% against Aphis craccivora at 400 mg·L-1. Conformation analysis indicated that the high energy barrier required for the transition from the lowest-energy conformation to the active conformation may be a key factor contributing to the reduced insecticidal activities of the target compounds. Further structural optimizations aimed at reducing this energy barrier through binding mode-based conformation regulation led to the identification of optimal target 4-(3'-pyridylhydrazono)pyrazol-5-one derivatives C1 and C2. These compounds exhibited reduced transition energy barriers and improved insecticidal activity, with moderate mortality rate of 66.3% and 75.7% against A. craccivora at 400 mg·L-1, respectively. These findings provide valuable insights for future research on the discovery of insect TRPV modulators and have significant implications for the development of more effective agricultural insecticides.

RESUMEN

Phytoene desaturase (PDS) is a key rate-limiting enzyme in the carotenoid biosynthesis pathway. Although commercial PDS inhibitors have been developed for decades, it remains necessary to develop novel PDS inhibitors with higher bioactivity. In this work, we used the scaffold hopping and linker modification approaches to design and synthesize a series of compounds (7a-7o, 8a-8l, and 14a-14d). The postemergence application assay demonstrated that 8e and 7e separately showed the best herbicidal activity at 750 g a.i./ha and lower doses (187.5 g, 375g a.i./ha) without no significant toxicity to maize and wheat. The surface plasmon resonance revealed strong binding affinity between 7e and Synechococcus PDS (SynPDS). The HPLC analysis confirmed that 8e at 750 g a.i./ha caused significant phytoene accumulation in Arabidopsis seedlings. This work demonstrates the efficacy of structure-guided optimization through scaffold hopping and linker modification to design potent PDS inhibitors with enhanced bioactivity and crop safety.

Asunto(s)

Inhibidores Enzimáticos , Herbicidas , Oxidorreductasas , Zea mays , Oxidorreductasas/metabolismo , Oxidorreductasas/química , Oxidorreductasas/antagonistas & inhibidores , Herbicidas/farmacología , Herbicidas/química , Inhibidores Enzimáticos/química , Inhibidores Enzimáticos/farmacología , Zea mays/química , Relación Estructura-Actividad , Arabidopsis/enzimología , Arabidopsis/efectos de los fármacos , Arabidopsis/química , Arabidopsis/metabolismo , Triticum/química , Proteínas de Plantas/química , Proteínas de Plantas/metabolismo , Proteínas de Plantas/genética , Proteínas de Plantas/antagonistas & inhibidores , Estructura Molecular , Triazoles/química , Triazoles/farmacología

RESUMEN

Frequency hopping (FH) is a well-known technique that is commonly used in communication systems owing to its many advantages, including its strong anti-jamming capability. In this technique, basically, radio signals are transmitted by switching the carrier between different frequency channels. As a result, the FH signal is not stationary; hence, its spectrum is expected to change over time. Therefore, the task of detection and parameter estimation of FH signals is very challenging in practice. To address this challenge, the study presented in this article proposes a method that detects and estimates the parameters of multiple narrowband FH signals. In the proposed method, first, short-time Fourier transform (STFT) is utilized to analyze FH signals, and a practical binarization process based on thresholding is used to detect FH signals. Then, a new algorithm is proposed to ensure that the center frequencies of the detected signals are successfully separated. Next, another algorithm is proposed to estimate the parameters of the detected signals. After estimating the parameters for the entire spectrum, an approach is used to detect FH signals. Lastly, the hop-clustering process is applied to separate the hops into groups without time overlap. The simulation results show that the proposed method can be an efficient way for the fast and accurate parameter estimation and detection of multiple narrowband FH signals.

RESUMEN

In the present study, the frequency-dependent dielectric relaxation and electrical conduction mechanisms in sol-gel-derived Zn0.5Cd0.5Fe2O4 (ZCFO) spinel ferrite were studied in the temperature range of 343-438 K. The formation of the ZCFO spinel ferrite phase with space group Fd3m was confirmed by X-ray diffraction analysis. The dielectric relaxation and electrical conduction mechanisms were studied using complex impedance spectroscopy (CIS). In the Nyquist plots, depressed semicircles were fitted with an equivalent circuit model with configuration (RGBQGB) (RGQG), signifying the contributions from grain boundaries and grains to the charge transport mechanism in the sample. The frequency-dependent AC conductivity was found to follow Jonscher's power law, and the frequency exponent term depicted the overlapping large polaron hopping (OLPH) model as the dominant transport mechanism. The activation energies for conductivity, electric modulus and impedance were calculated to identify the nature of the charge carriers governing the relaxation and conduction mechanisms in the prepared sample. Complex modulus studies confirmed the non-Debye type of dielectric relaxation, whereas tangent loss and dielectric constant analyses confirmed the thermally activated hopping mechanism of charge carriers in Zn0.5Cd0.5Fe2O4 spinel ferrite.

RESUMEN

To analyse walking, running or hopping motions, models with high degrees of freedom are usually used. However simple reductionist models are advantageous within certain limits. In a simple manner, the hopping motion is generally modelled by a spring-mass system, resulting in piecewise smooth dynamics with marginally stable periodic solutions. For a more realistic behaviour, the spring is replaced by a variety of muscle models due to which asymptotically stable periodic motions may occur. The intrinsic properties of the muscle model, i.e. preflexes, are usually taken into account in three complexities-constant, linear and Hill-type. In this paper, we propose a semi-closed form feed-forward control which represents the muscle activation and results in symmetrical hopping motion. The research question is whether hopping motions with symmetric force-time history have advantages over asymmetric ones in two aspects. The first aspect is its applicability for describing human motion. The second aspect is related to robotics where the efficiency is expressed in term of performance measures. The symmetric systems are compared with each other and with those from the literature using performance measures such as hopping height, energetic efficiency, stability of the periodic orbit, and dynamical robustness estimated by the local integrity measure (LIM). The paper also demonstrates that the DynIn MatLab Toolbox that has been developed for the estimation of the LIM of equilibrium points is applicable for periodic orbits.

Asunto(s)

Modelos Biológicos , Músculo Esquelético , Robótica , Humanos , Músculo Esquelético/fisiología , Robótica/métodos , Simulación por Computador , Fenómenos Biomecánicos , Locomoción/fisiología , Caminata/fisiología

RESUMEN

The bromodomain-containing protein 4 (BRD4), which is a key epigenetic regulator in cancer, has emerged as an attractive target for the treatment of melanoma. In this study, we investigate 7-phenoxy-benzimidazole derivative 12, which is a novel BRD4 inhibitor for the treatment of melanoma, by performing scaffold hopping on the previously reported benzimidazole derivative 1. Despite their good oral and intravenous exposure, the compounds obtained by modifying derivate 1 exhibit mutagenicity, which was confirmed by the positive Ames test results. Based on our hypothesis that the cause of the Ames test positivity is the metabolic intermediates generated from those chemical series, we implemented a scaffold hopping strategy to avoid the N-benzyl moiety by relocating the substituent groups to preserve the essential interaction. Based on this strategy, we successfully obtained compound 12; the Ames test results of this compound were negative. Notably, compound 12 not only exhibited a favorable pharmacokinetic (PK) profile but also significant tumor growth inhibition in a mouse melanoma xenograft model, indicating its potential as a therapeutic agent for the treatment of melanoma.

Asunto(s)

Antineoplásicos , Bencimidazoles , Proteínas de Ciclo Celular , Melanoma , Factores de Transcripción , Animales , Bencimidazoles/química , Bencimidazoles/farmacología , Bencimidazoles/síntesis química , Ratones , Antineoplásicos/química , Antineoplásicos/farmacología , Antineoplásicos/síntesis química , Melanoma/tratamiento farmacológico , Melanoma/patología , Humanos , Administración Oral , Factores de Transcripción/antagonistas & inhibidores , Factores de Transcripción/metabolismo , Relación Estructura-Actividad , Proteínas de Ciclo Celular/antagonistas & inhibidores , Proteínas de Ciclo Celular/metabolismo , Estructura Molecular , Proliferación Celular/efectos de los fármacos , Línea Celular Tumoral , Ensayos de Selección de Medicamentos Antitumorales , Relación Dosis-Respuesta a Droga , Proteínas Nucleares/antagonistas & inhibidores , Proteínas Nucleares/metabolismo , Proteínas que Contienen Bromodominio

RESUMEN

Integrase strand transfer inhibitors (INSTIs) are the most prescribed anchor drug in antiretroviral therapy. Today, there is an increasing need for long-acting treatment of HIV-1 infection. Improving drug pharmacokinetics and anti-HIV-1 activity are key to developing more robust inhibitors suitable for long-acting formulations, but 2nd-generation INSTIs have chiral centers, making it difficult to conduct further exploration. In this study, we designed aza-tricyclic and aza-bicyclic carbamoyl pyridone scaffolds which are devoid of the problematic hemiaminal stereocenter present in dolutegravir (DTG). This scaffold hopping made it easy to introduce several substituents, and evolving structure-activity studies using these scaffolds resulted in several leads with promising properties.

Asunto(s)

Diseño de Fármacos , Inhibidores de Integrasa VIH , Integrasa de VIH , VIH-1 , Piridonas , Humanos , Compuestos Aza/química , Compuestos Aza/farmacología , Compuestos Aza/síntesis química , Relación Dosis-Respuesta a Droga , Integrasa de VIH/metabolismo , Inhibidores de Integrasa VIH/farmacología , Inhibidores de Integrasa VIH/química , Inhibidores de Integrasa VIH/síntesis química , VIH-1/efectos de los fármacos , Estructura Molecular , Piridonas/química , Piridonas/farmacología , Piridonas/síntesis química , Relación Estructura-Actividad , Integrasas/química , Integrasas/metabolismo , Integrasas/farmacocinética

RESUMEN

The integrated satellite-terrestrial network (ISTN) provides a promising solution to achieve high-data-rate and ubiquitous connectivity in next-generation communication networks. Considering the scarce spectrum resources and unevenly distributed traffic demands, we investigate the resource allocation algorithms for ISTNs, where the beam-hopping (BH)-based satellite system and terrestrial systems share the same frequency band. Taking advantage of the scheduling flexibility of BH technology, the dynamical protection zones are constructed to avoid co-channel interference and improve the spectrum efficiency. Since both spectrum efficiency and user fairness are the key optimization indexes in practical systems, two resource allocation problems are formulated to maximize the weighted sum of capacity (MWSC) and maximize the minimum capacity-to-demand ratio (MMCDR) of ISTNs, respectively. By reformulating the problems as mixed-integer linear programming problems, optimal solutions are obtained. To reduce the computational complexity, two greedy suboptimal algorithms are proposed for the MWSC and MMCDR, respectively. The simulation results show that the proposed algorithms achieve higher spectrum efficiency and guarantee fairness between the satellite and terrestrial systems. It is also shown that both the greedy algorithms perform similarly to the optimal algorithms while having much lower complexity.

RESUMEN

The discovery of readily available and easily modifiable new models is a crucial and practical solution for agrochemical innovation. Antifungal function-oriented fusion of triazole with the prevalidated lead (R)-LE001 affords a novel framework with a broad and enhanced antifungal spectrum. Characterized by the easy accessibility and adjustability of [1,2,4]triazolo[4,3-a]pyridine, modular fine-tuning provided a set of unprecedented leads (e.g., Z23, Z25, Z26, etc.) with superior antifungal potentials than the positive control boscalid. Candidate Z23 exhibited a more promising antifungal activity against Sclerotinia sclerotiorum, Botrytis cinerea, and Phytophthora capsici with EC50 values of 0.7, 0.6, and 0.5 µM, respectively. This candidate could effectively control boscalid-resistant B. cinerea strains and also exhibit good vivo efficacy in controlling gray mold. Noteworthily, both the SDH-inhibition and the efficiency against Oomycete P. capsici are quite distinct from that of the positive control boscalid. A molecular docking simulation also differentiates Z23 from boscalid. These findings highlight the potential of [1,2,4]triazolo[4,3-a]pyridine amide as a novel antifungal model.

Asunto(s)

Compuestos de Anilina , Ascomicetos , Botrytis , Fungicidas Industriales , Niacinamida , Phytophthora , Enfermedades de las Plantas , Triazoles , Fungicidas Industriales/química , Fungicidas Industriales/farmacología , Botrytis/efectos de los fármacos , Botrytis/crecimiento & desarrollo , Triazoles/química , Triazoles/farmacología , Enfermedades de las Plantas/microbiología , Enfermedades de las Plantas/prevención & control , Niacinamida/química , Niacinamida/farmacología , Relación Estructura-Actividad , Phytophthora/efectos de los fármacos , Compuestos de Anilina/química , Compuestos de Anilina/farmacología , Ascomicetos/efectos de los fármacos , Ascomicetos/química , Estructura Molecular , Oxazoles/química , Oxazoles/farmacología

RESUMEN

SMILES-based generative models are amongst the most robust and successful recent methods used to augment drug design. They are typically used for complete de novo generation, however, scaffold decoration and fragment linking applications are sometimes desirable which requires a different grammar, architecture, training dataset and therefore, re-training of a new model. In this work, we describe a simple procedure to conduct constrained molecule generation with a SMILES-based generative model to extend applicability to scaffold decoration and fragment linking by providing SMILES prompts, without the need for re-training. In combination with reinforcement learning, we show that pre-trained, decoder-only models adapt to these applications quickly and can further optimize molecule generation towards a specified objective. We compare the performance of this approach to a variety of orthogonal approaches and show that performance is comparable or better. For convenience, we provide an easy-to-use python package to facilitate model sampling which can be found on GitHub and the Python Package Index.Scientific contributionThis novel method extends an autoregressive chemical language model to scaffold decoration and fragment linking scenarios. This doesn't require re-training, the use of a bespoke grammar, or curation of a custom dataset, as commonly required by other approaches.

RESUMEN

PURPOSE: This study investigated the test-retest reliability and usefulness of the foot-ankle rebound-jump test (FARJT) for measuring foot-ankle reactive strength metrics in athletes. METHODS: Thirty-six highly trained, healthy athletes (5 female; 21.5 [3.9] y; 1.80 [0.10] m; 72.7 [10.4] kg) performed 8 repeated bilateral vertical foot-ankle rebound jumps on 2 testing days. Testing days were 1 week apart, and these sessions were preceded by a familiarization session. Reactive strength metrics were calculated by dividing jump height (in meters) by contact time (in seconds) for the reactive strength index (RSI) and flight time (in seconds) by contact time (in seconds) for the reactive strength ratio (RSR). The mean of 4 jumps (excluding the first and last 2 jumps) on each testing session were considered for RSI and RSR reliability and usefulness analysis. RESULTS: We found a high reliability of the FARJT for RSI (intraclass correlation coefficient [ICC] > .90 and coefficient of variation [CV] = 12%) and RSR (ICC ≥ .90 and CV = 8%). Regarding their usefulness, both RSI and RSR were rated as "marginal" in detecting the smallest worthwhile change (typical error > smallest worthwhile change) and "good" in detecting a moderate change in performance. CONCLUSIONS: The results showed that a FARJT is a highly reliable test for measuring foot-ankle reactive strength in athletes and useful for quantifying changes, for example, following a training block. However, its usefulness as an accurate daily or weekly monitoring tool in practice is questionable.

Asunto(s)

Tobillo , Prueba de Esfuerzo , Pie , Fuerza Muscular , Humanos , Femenino , Reproducibilidad de los Resultados , Pie/fisiología , Masculino , Adulto Joven , Prueba de Esfuerzo/métodos , Tobillo/fisiología , Fuerza Muscular/fisiología , Atletas , Adulto , Adolescente

RESUMEN

Scaffold hopping is a design approach involving alterations to the core structure of an already bioactive scaffold to generate novel molecules to discover bioactive hit compounds with innovative core structures. Scaffold hopping enhances selectivity and potency while maintaining physicochemical, pharmacodynamic (PD), and pharmacokinetic (PK) properties, including toxicity parameters. Numerous molecules have been designed based on a scaffold-hopping strategy that showed potent inhibition activity against multiple targets for the diverse types of malignancy. In this review, we critically discuss recent applications of scaffold hopping along with essential components of medicinal chemistry, such as structure-activity relationship (SAR) profiles. Moreover, we shed light on the limitations and challenges associated with scaffold hopping-based anticancer drug discovery.

Asunto(s)

Antineoplásicos , Diseño de Fármacos , Neoplasias , Humanos , Diseño de Fármacos/métodos , Antineoplásicos/farmacología , Antineoplásicos/química , Relación Estructura-Actividad , Neoplasias/tratamiento farmacológico , Animales , Descubrimiento de Drogas/métodos , Química Farmacéutica/métodos

RESUMEN

Drying techniques are important for hop storage and quality. The stage of hop addition in beer is another important issue. This study focuses the impact of two drying techniques [freeze-dryer (F) and hot-stove (H)] of Cascade hop, on the chemical, aromatic and sensory quality of beer, comparing beers produced without (BF and BH) and with dry-hopping technique (BFDH and BHDH). Dry-hopping with H significantly increased the bitterness index and reduced the titratable acidity. Isoamyl acetate (450.60 µg/L) and ethyl caprylate (313.60 µg/L) were in high content especially in BH while, ethyl-n-caproate (359.37 µg/L) had the highest content in BF. The beers made with dry-hopping technique, had a significantly higher content in terpenes especially in BFDH (1006.18 µg/L). Sensory evaluation indicated difference preferences, with freeze-dried hop beers generally favored. In conclusion, depending on the type of beer desired, hops dried in different way and a specific hopping technique can be chosen.

Asunto(s)

Cerveza , Desecación , Manipulación de Alimentos , Humulus , Gusto , Cerveza/análisis , Humulus/química , Humanos , Desecación/métodos , Odorantes/análisis