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51.
E. Cetkin S. Lorente A. Bejan 《International Journal of Heat and Mass Transfer》2011,54(13-14):2774-2781
In this paper we explore the use of vascular design that provides cooling and mechanical strength at the same time. We illustrate the concept with a circular plate vascularized with embedded channels. The cooling fluid enters to the plate from the center or from the rim, and leaves after it cools the plate down to an allowable temperature level. The vascular cooling channels also affect the mechanical strength of the plate. We simulated numerically the thermofluid and mechanical behavior for three different structures; radial, dendrites with one pairing level and dendrites with two pairing levels. We found that for a given set of conditions (applied pressure difference, coolant inlet position, and number of the cooling channels) there is one configuration that is best; however, there is no single configuration that is best for all conditions. 相似文献
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53.
N‐Benzyl‐4‐((heteroaryl)methyl)benzamides: A New Class of Direct NADH‐Dependent 2‐trans Enoyl–Acyl Carrier Protein Reductase (InhA) Inhibitors with Antitubercular Activity 下载免费PDF全文
Ana Guardia Dr. Gulcin Gulten Dr. Raquel Fernandez Jesus Gómez Dr. Feng Wang Dr. Maire Convery Delia Blanco María Martínez Dr. Esther Pérez‐Herrán Marta Alonso Dr. Fátima Ortega Dr. Joaquín Rullás Dr. David Calvo Lydia Mata Dr. Robert Young Prof. James C. Sacchettini Dr. Alfonso Mendoza‐Losana Dr. Modesto Remuiñán Dr. Lluís Ballell Pages Dr. Julia Castro‐Pichel 《ChemMedChem》2016,11(7):687-701
Isoniazid (INH) remains one of the cornerstones of antitubercular chemotherapy for drug‐sensitive strains of M. tuberculosis bacteria. However, the increasing prevalence of multidrug‐resistant (MDR) and extensively drug‐resistant (XDR) strains containing mutations in the KatG enzyme, which is responsible for the activation of INH into its antitubercular form, have rendered this drug of little or no use in many cases of drug‐resistant tuberculosis. Presented herein is a novel family of antitubercular direct NADH‐dependent 2‐trans enoyl–acyl carrier protein reductase (InhA) inhibitors based on an N‐benzyl‐4‐((heteroaryl)methyl)benzamide template; unlike INH, these do not require prior activation by KatG. Given their direct InhA target engagement, these compounds should be able to circumvent KatG‐related resistance in the clinic. The lead molecules were shown to be potent inhibitors of InhA and showed activity against M. tuberculosis bacteria. This new family of inhibitors was found to be chemically tractable, as exemplified by the facile synthesis of analogues and the establishment of structure–activity relationships. Furthermore, a co‐crystal structure of the initial hit with the enzyme is disclosed, providing valuable information toward the design of new InhA inhibitors for the treatment of MDR/XDR tuberculosis. 相似文献
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Núria Nadal-Gratacs Esther Lleix Mnica Gibert-Serrami Roger Estrada-Tejedor Xavier Berzosa Xavier Batllori David Pubill Jordi Camarasa Elena Escubedo Raúl Lpez-Arnau 《International journal of molecular sciences》2022,23(4)
Changes in the molecular structure of synthetic cathinones has led to an increase in the number of novel emerging drugs in the illicit drug market at an unprecedented rate. Unfortunately, little is known about the neuropsychopharmacology of recently emerged halogen-substituted α-PVP derivatives. Thus, the aim of this study was to investigate the role of para- and meta-halogen (F-, Cl-, and Br-) substitutions on the in vitro, in silico, and in vivo effects of α-pyrrolidinopentiophenone (α-PVP) derivatives. HEK293 cells expressing the human dopamine or serotonin transporter (hDAT and hSERT) were used for the uptake inhibition and transporter affinity assays. Molecular docking was used to model the interaction mechanism against DAT. Swiss CD-1 mice were used for the horizontal locomotor activity, open field test, and conditioned place preference paradigm. All compounds demonstrated potent DA uptake inhibition and higher DAT selectivity than cocaine. Meta-substituted cathinones showed higher DAT/SERT ratios than their para- analogs, which correlates with an increased psychostimulant effect in vivo and with different meta- and para-in silico interactions at DAT. Moreover, all compounds induced rewarding and acute anxiogenic effects in mice. In conclusion, the present study demonstrates the role of meta- and para-halogen substitutions in the mechanism of action and provides the first evidence of the rewarding and anxiety-like properties of halogenated α-PVP derivatives. 相似文献
56.
María ngeles Peinado David Ovelleiro María Luisa del Moral Raquel Hernndez Esther Martínez-Lara Eva Siles Jos Rafael Pedrajas María Luisa García-Martín Carlos Caro Sebastin Peralta María Encarnacin Morales María Adolfina Ruiz Santos Blanco 《International journal of molecular sciences》2022,23(1)
Exogenous neuroprotective protein neuroglobin (Ngb) cannot cross the blood–brain barrier. To overcome this difficulty, we synthesized hyaluronate nanoparticles (NPs), able to deliver Ngb into the brain in an animal model of stroke (MCAO). These NPs effectively reached neurons, and were microscopically identified after 24 h of reperfusion. Compared to MCAO non-treated animals, those treated with Ngb-NPs showed survival rates up to 50% higher, and better neurological scores. Tissue damage improved with the treatment, but no changes in the infarct volume or in the oxidative/nitrosative values were detected. A proteomics approach (p-value < 0.02; fold change = 0.05) in the infarcted areas showed a total of 219 proteins that significantly changed their expression after stroke and treatment with Ngb-NPs. Of special interest, are proteins such as FBXO7 and NTRK2, which were downexpressed in stroke, but overexpressed after treatment with Ngb-NPs; and ATX2L, which was overexpressed only under the effect of Ngb. Interestingly, the proteins affected by the treatment with Ngb were involved in mitochondrial function and cell death, endocytosis, protein metabolism, cytoskeletal remodeling, or synaptic function, and in regenerative processes, such as dendritogenesis, neuritogenesis, or sinaptogenesis. Consequently, our pharmaceutical preparation may open new therapeutic scopes for stroke and possibly for other neurodegenerative pathologies. 相似文献
57.
Gustavo D. Campagnaro Hamza A. A. Elati Sofia Balaska Maria Esther Martin Abril Manal J. Natto Fabian Hulpia Kelly Lee Lilach Sheiner Serge Van Calenbergh Harry P. de Koning 《International journal of molecular sciences》2022,23(2)
Toxoplasma gondii is unable to synthesize purines de novo, instead salvages them from its environment, inside the host cell, for which they need high affinity carriers. Here, we report the expression of a T. gondii Equilibrative Nucleoside Transporter, Tg244440, in a Trypanosoma brucei strain from which nucleobase transporters have been deleted. Tg244440 transported hypoxanthine and guanine with similar affinity (Km ~1 µM), while inosine and guanosine displayed Ki values of 4.05 and 3.30 µM, respectively. Low affinity was observed for adenosine, adenine, and pyrimidines, classifying Tg244440 as a high affinity oxopurine transporter. Purine analogues were used to probe the substrate-transporter binding interactions, culminating in quantitative models showing different binding modes for oxopurine bases, oxopurine nucleosides, and adenosine. Hypoxanthine and guanine interacted through protonated N1 and N9, and through unprotonated N3 and N7 of the purine ring, whereas inosine and guanosine mostly employed the ribose hydroxy groups for binding, in addition to N1H of the nucleobase. Conversely, the ribose moiety of adenosine barely made any contribution to binding. Tg244440 is the first gene identified to encode a high affinity oxopurine transporter in T. gondii and, to the best of our knowledge, the first purine transporter to employ different binding modes for nucleosides and nucleobases. 相似文献
58.
Lucía Sánchez-Rodríguez Marina Kranjac Zvonimir Marijanović Igor Jerković David Pérez-López Ángel A. Carbonell-Barrachina Francisca Hernández Esther Sendra 《Journal of the American Oil Chemists' Society》2020,97(5):449-462
Three new regulated deficit irrigation (RDI) treatments were applied to “Arbequina” olive orchards during pit hardening. Oil quality was determined by measuring analytical parameters for olive oil grading, antioxidant activity, total phenol content, fatty acid profile, volatile compounds profile, and sensory analysis. Oils from RDI were classified as “extra virgin olive oil” and their quality was improved due to their higher antioxidant potential (ABTS+ [increased ~75%] and DPPH˙ [increased ~25%] assays) and phenols (increased ~53%) than control. Concentration of total volatile compounds decreased (~27%) but RDI olive oils showed a more balanced profile (alcohols, aldehydes, and esters). Monounsaturated fatty acid content increased (~5%) and atherogenic and thrombogenic indexes decreased (~8.5%) in RDI olive oil. Regarding sensory analysis, RDI provided more balanced oils with higher fruit aroma than control. Other benefits of RDI olive oil, when compared with oil from full irrigated orchards are reduced use of water and improved functional and sensory quality. 相似文献
59.
Gilbert Rodríguez Eudes Villanueva Danco Cortez Esther Sanchez Elza Aguirre Alyssa Hidalgo 《Journal of the American Oil Chemists' Society》2020,97(7):729-735
Chia and sesame oils are important sources of essential fatty acids; however, their ω-3:ω-6 proportions do not comply with nutritional recommendation. A feasible approach to improve the ratio is to blend different oils, but only after understanding physical and chemical changes of the new matrix. Objective of the investigation was to determine the physico-chemical characteristics and the oxidative stability index (OSI), using the Rancimat method, of chia-sesame oil blends. The four ω-3:ω-6 blends tested (1:4, 1:6, 1:8, and 1:10) were exposed to temperatures of 110, 120, and 130 °C. The OSI values of the mixtures varied between 6.24–8.08, 3.07–4.00, and 1.62–2.01 hours for each temperature, respectively. In addition, their mean activation energy, enthalpy, entropy, and Q10 were 88.4 kJ/mol, 85.2 kJ/mol, −41.1 J/mol K, and 2.0. Finally, a shelf life prediction performed at 25 °C indicated stability times between 80 and 123 days. Therefore, combining chia and sesame oils produced blends with a good balance of essential fatty acids. 相似文献
60.
Esther Hontañón Marcel Rouenhoff Alfredo Azabal Emilio Ramiro Frank Einar Kruis 《Aerosol science and technology》2014,48(3):333-339
An existing differential mobility analyzer (DMA) of cylindrical electrodes and a novel DMA of rectangular plate electrodes are demonstrated for size fractionation of nanoparticles at high-aerosol flow rates in this work. The two DMAs are capable of delivering monodisperse size selected nanoparticles (SMPS σg < 1.1) at gas flow rates ranging from 200 slm to 500 slm. At an aerosol flow rate of 200 slm, the maximum attainable particle mean size is of about 20 nm for the cylindrical DMA and of nearly 50 nm for the rectangular plate DMA. The number concentration of the monodisperse nanoparticles delivered by the high-flow DMAs spans from 104 cm?3 to 106 cm?3 depending upon the particle mean size and particle size dispersion.
Copyright 2014 American Association for Aerosol Research 相似文献