Comparison of total and activity energy expenditure estimates from physical activity questionnaires and doubly labelled water : a systematic review and meta-analysis

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High hydrogen release catalytic activity by quasi-MOFs prepared via post-synthetic pore engineering

[EN] The catalytic activity of metal-organic frameworks (MOFs) depends largely on the presence of structural defects. In the present study, cobalt based metal-organic framework TMU-10, [Co-6(oba)(5)(OH)(2)(H2O)(2)(DMF)(4)](n)center dot 2DMF has been subjected to controlled thermolysis under air atmosphere at different temperatures in the range of 100-700 degrees C. This treatment results in the removal of ligands, and generation of structural defects and additional porosity in a controlled manner. The resulting materials, denoted as quasi MOFs according to the literature, were subsequently employed as catalysts for hydrogen release from NaBH4 by hydrolysis. The quasi TMU-10 framework obtained at 300 degrees C (QT-300) shows the highest turnover frequency of the series with a value of 13 333 mL min(-1) g(-1) at room temperature in the absence of a base, with an activation energy of 56.8 kJ mol(-1). The simultaneous presence of micro- and mesopores in QT-300 with unsaturated Lewis acid sites on cobalt nodes due to the conversion of a fraction of Co(ii) centers to Co(iii) as well as the presence of tetrahedral Co(ii) sites is responsible for this catalytic behavior. The influence of the catalyst dosage and BH4- concentration is in good agreement with the Langmuir-Hinshelwood model in which both reactants must be adsorbed onto the catalyst surface. Further investigation on the hydrolysis of the NaBH4 + D2O system presents a primary kinetic isotope effect indicating that water O-H bond cleavage occurs in the rate determining step.Support of this investigation by Arak University and Iran National Science Foundation (INSF) (grant No. 4000089) are gratefully acknowledged. Ministerio de Ciencia e Innovacion (Severo Ochoa and RTI2018-98237-CO2-1) and Generalitat Valenciana (Prometeo 2017/083) are also acknowledged.Bagheri, M.; Masoomi, MY.; Domínguez Torres, E.; García Gómez, H. (2021). High hydrogen release catalytic activity by quasi-MOFs prepared via post-synthetic pore engineering. Sustainable Energy & Fuels. 5(18):4587-4596. https://doi.org/10.1039/d1se00661dS4587459651

Enhanced Catalytic Performance of Quasi-HKUST-1 for the Tandem Imine Formation

[EN] Copper-based metal-organic framework (Cu3 (BTC)2 (H2 O)3 ]n ¿nH2 OMeOH (HKUST-1) has been subjected to thermolysis under air atmosphere at different temperatures ranging from 100 to 300 °C. This treatment produces the partial removal of ligands, the generation of structural defects and additional porosity in a controlled way. The resulting defective materials denoted according to the literature as quasi-MOFs, were subsequently employed as heterogeneous catalysts in the one pot synthesis of N-benzylideneaniline from aniline and benzyl alcohol in open air as terminal oxidant at 70 °C under base- and dehydrating agent-free conditions. The Q-HKUST catalysts calcined at 240 °C (QH-240) was the most efficient in the series, promoting imine synthesis. Data from Knoevenagel condensation of malononitrile shows that in QH-240 the distances of Cu ions in HKUST-1 cavities are preserved, increasing the Knoevenagel activity, but a strong rearrangement takes place at 300 °C or above. The unsaturated copper active sites with simultaneous presence of micro- and mesopores in QH-240 are responsible for this excellent catalytic performance. The effective parameters on catalytic activity of QH-240 including deligandation temperature, the amount of catalyst, the ratio of reactants, and reaction temperature as well as the stability and recyclability of the catalyst were also investigated. The possible mechanism used by QH-240 follows alcohol aerobic oxidation and subsequent anaerobic condensation of aldehyde intermediate with aniline.Support of this investigation by Arak University and Iran Science Elites Federation are gratefully acknowledged.Bagheri, M.; Melillo, A.; Ferrer Ribera, RB.; Masoomi, MY.; García Gómez, H. (2021). Enhanced Catalytic Performance of Quasi-HKUST-1 for the Tandem Imine Formation. Chemistry - A European Journal. 27(57):14273-14281. https://doi.org/10.1002/chem.2021024051427314281275

Improved catalytic hydrogen release of quasi HKUST-1 compared to HKUST-1

[EN] On-demand hydrogen release could be an important process for the transportation of fuel in the near future. Herein it is reported that the controlled thermolysis of HKUST-1 under optimal conditions generates structural defects resulting in a quasi-HKUST-1 material showing a 20-fold enhancement of the H-2 release turnover frequency at room temperature in the absence of a baseThis work is based upon research funded by the Iran National Science Foundation (INSF) under project no. 4000089 and Spanish Ministry of Science and Innovation (Severo Ochoa and RTI201898237-CO2-1). Also, support for this investigation from Arak University is gratefully acknowledged.Bagheri, M.; Melillo, A.; Ferrer Ribera, RB.; Masoomi, MY.; García Gómez, H. (2021). Improved catalytic hydrogen release of quasi HKUST-1 compared to HKUST-1. Chemical Communications. 57(90):11964-11967. https://doi.org/10.1039/d1cc05182b1196411967579

Quasi-HKUST Prepared via Postsynthetic Defect Engineering for Highly Improved Catalytic Conversion of 4-Nitrophenol

[EN] HKUST-1 [Cu-3(BTC)(2)(H2O)(3)](n)center dot nH(2)OMeOH was submitted to thermolysis under controlled conditions at temperatures between 100 and 300 degrees C. This treatment resulted in partial ligand decarboxylation, generating coordinatively unsaturated Cu2+ sites with extra porosity on the way to the transformation of the initial HKUST-1 framework to CuO. The obtained materials retaining in part the HKUST-1 original crystal structure (quasi-MOFs) were used to promote 4-nitrophenol conversion to 4-aminophenol. Because of the partial linker decomposition, the quasi-MOF treated at 240 degrees C contains coordinatively unsaturated Cu2+ ions distributed throughout the Q-HKUST lattice together with micro- and mesopores. These defects explain the excellent catalytic performance of QH-240 with an apparent rate constant of 1.02 X 10(-2) s(-1) in excess of NaBH4 and an activity factor and half-life time of 51 s(-1)g(-1) and 68 s, respectively, which is much better than that of the HKUST parent. Also, the induction period decreases from the order of minutes to seconds in the presence of the HKUST and QH-240 catalysts, respectively. Kinetic studies fit with the Langmuir-Hinshelwood theory in which both 4-nitrophenol and BH4- should be adsorbed onto the catalyst surface. The values of the true rate constant (k), the adsorption constants of 4-nitrophenol and BH4- (K4-NP and K-BH4(-)), as well as the activation energy are in agreement with a rate-determining step involving the reduction of 4-nitrophenol by the surface-bound hydrogen species.This work is based upon research funded by the Iran National Science Foundation (INSF) under project no. 4000089. Also, support of this investigation by Arak University is gratefully acknowledged. The Spanish Ministry of Science and Innovation (Severo Ochoa and RTI2018-89237-CO2-R1) and Generalitat Valenciana (Prometeo 2021-038) are gratefully acknowledged.Bagheri, M.; Melillo, A.; Ferrer Ribera, RB.; Masoomi, MY.; García Gómez, H. (2022). Quasi-HKUST Prepared via Postsynthetic Defect Engineering for Highly Improved Catalytic Conversion of 4-Nitrophenol. ACS Applied Materials & Interfaces. 14(1):978-989. https://doi.org/10.1021/acsami.1c1986297898914

A 6-CpG Validated Methylation Risk Score Model for Metabolic Syndrome: The HyperGEN and GOLDN Studies

There has been great interest in genetic risk prediction using risk scores in recent years, however, the utility of scores developed in European populations and later applied to non-European populations has not been successful. The goal of this study was to create a methylation risk score (MRS) for metabolic syndrome (MetS), demonstrating the utility of MRS across race groups using cross-sectional data from the Hypertension Genetic Epidemiology Network (HyperGEN, N = 614 African Americans (AA)) and the Genetics of Lipid Lowering Drugs and Diet Network (GOLDN, N = 995 European Americans (EA)). To demonstrate this, we first selected cytosine-guanine dinucleotides (CpG) sites measured on Illumina Methyl450 arrays previously reported to be significantly associated with MetS and/or component conditions in more than one race/ethnic group (CPT1A cg00574958, PHOSPHO1 cg02650017, ABCG1 cg06500161, SREBF1 cg11024682, SOCS3 cg18181703, TXNIP cg19693031). Second, we calculated the parameter estimates for the 6 CpGs in the HyperGEN data (AA) and used the beta estimates as weights to construct a MRS in HyperGEN (AA), which was validated in GOLDN (EA). We performed association analyses using logistic mixed models to test the association between the MRS and MetS, adjusting for covariates. Results showed the MRS was significantly associated with MetS in both populations. In summary, a MRS for MetS was a strong predictor for the condition across two race groups, suggesting MRS may be useful to examine metabolic disease risk or related complications across race/ethnic groups

Maternal Obesity and Energy Intake as Risk Factors of Pregnancy-induced Hypertension among Iranian Women

Pregnancy-induced hypertension is causing striking maternal, foetal and neonatal mortality and morbidity in the world. A case-control study was conducted on 113 women with gestational hypertension and 150 healthy pregnant women at Shahid Akbarabadi Hospital of obstetrics and gynaecology in south of Tehran. Women who were obese (OR 4.44; 95% CI 1.84-10.72) before pregnancy were more likely to develop gestational hypertension. Proportion of having excessive gestational weight gain was positively and significantly associated with development of gestational hypertension (OR 2.70; 95% CI 1.19-6.13). Furthermore, findings revealed that women who were in the highest quartile of mid-arm-circumference had a 3-fold increased risk of gestational hypertension compared to women in the lowest quartile (OR 8.93; 95% CI 2.16-36.93). We found that having been in the highest quartile of energy intake positively correlated with increased risk of gestational hypertension (OR 9.66; 95% CI 3.30-28.21). The results suggest pre-pregnancy obesity, excessive gestational weight gain, and increased intake of energy as potential risk factors of developing gestational hypertension

Studying VSX1 gene mutations in patients with Keratoconus of Chaharmahal and Bakhtiari province, Iran

Background & Aims: Keratoconus (KC) is an eye disorder in which the cornea is swollen, thinned and deformed. Despite extensive studies, the pathophysiological processes and genetic etiology of KC is unknown. The disease incidence is approximately 1 in 2000 and is the most common cause of corneal transplantation in the US. Many genes are involved in the disease, but evidence suggests a major role for VSX1 in the etiology of KC. This study aimed to determine the frequency of mutations in exons 2, 4 of the VSX1 gene in Chaharmahal and Bakhtiari province, Iran. Methods: In this experimental study, mutations in two exons including exons 2 and 4 of VSX1 were investigated in 50 patients with KC. DNA was extracted using a standard phenol-chloroform method. PCRSSCP/ HA was performed, followed by DNA sequencing to confirm the identified motility shift. Results: H244R mutation was identified in exon 4 of only one patient. Conclusion: Our investigation showed that the KC-related VSX1 mutations are found in very small samples in the study subjects from Iran. Further investigations on other genes are needed to clarify their roles in KC pathogenesis

The effect of weight reduction on antioxidant enzymes and their association with dietary intake of vitamins A, C and E

ABSTRACT Objective: Our goal was to assess the effects of weight loss on antioxidant enzymes of red blood cells and it's relation with vitamins A, E and C intake in 30 obese women. Subjects and methods: General information, anthropometric measurements, 3-day food recall, and fasting blood samples were collected from 30 obese women at the beginning of the study and after 3 months intervention. Weight loss was set at about 10% of their weight before the intervention. Results: Glutathione reductase and catalase activities showed a significant increase (P < 0.01) after weight reduction, but no significant changes were seen in the superoxide dismutase and glutathione peroxidase activities. There was a positive linear correlation between daily vitamin C intake with superoxide dismutase enzyme after intervention (P = 0.004, r = 0.507). There was a negative linear correlation between vitamin E intake and glutathione peroxidase activity before intervention (P = 0.005, r = -0.5). A negative correlation was found between daily vitamin A intake and glutathione reductase enzyme before and after intervention (r = -0.385, r = -0.397, P < 0.05) respectively. No significant correlation was observed between vitamins A, C, E amounts and catalase activity. Conclusions: Ten percent weight reduction can have a significant role in increasing antioxidant enzymes activities, especially glutathione reductase, and catalase enzymes in obese women. However, it is important to take into consideration a balanced amount of certain nutrients while administering a diet with limited energy. Arq Bras Endocrinol Metab. 2014;58(7):744-9 Keywords Obesity; enzymic antioxidants; weight reduction RESUMO Objetivo: Nosso objetivo foi avaliar os efeitos da perda de peso sobre as enzimas antioxidantes de eritrócitos, e a relação destas com a ingestão das vitaminas A, E e C. Sujeitos e métodos: Foram coletadas informações gerais e medidas antropométricas, registro alimentar de três dias e amostras de sangue em jejum de 30 mulheres obesas no início do estudo e depois de três meses da intervenção. A perda de peso determinada antes da intervenção foi de 10% do peso. Resultados: As atividades da glutationa redutase e da catalase mostraram aumento significativo (P < 0,01) depois da perda de peso, mas não houve mudanças significativas nas atividades da superóxido dismutase e da glutationa peroxidase. Foi observada uma correlação linear positiva entre a ingestão diária de vitamina C e a enzima superóxido dismutase após a intervenção (P = 0,004, r = 0,507). Houve uma correlação linear negativa entre a ingestão de vitamina E e a atividade da glutationa peroxidase antes da intervenção (P = 0,005, r = -0,5). Foi observada uma correlação negativa entre a ingestão diária de vitamina A e a enzima glutationa redutase antes e depois da intervenção (r = -0,385, r = -0,397, P < 0,05), respectivamente. Não foram observadas correlações significativas entre as vitaminas A, C, E e os níveis e a atividade da catalase. Conclusões: Uma redução de 10% no peso pode ter um papel significativo no aumento da atividade das enzimas antioxidantes, especialmente na glutationa redutase e catalase em mulheres obesas. Entretanto, é importante levar em consideração uma ingestão equilibrada de certos nutrientes ao se recomendar uma dieta com níveis de energia restritos. Arq Bras Endocrinol Metab. 2014;58(7):744-9 Descritores Obesidade; enzimas antioxidantes; redução de pes

High photodegradation efficiency of phenol by mixed-metal-organic frameworks

Four MOFs, [Zn(oba)(4-bpdh)(0.5)](n)center dot 1.5DMF (TMU-5), [Cd0.15Zn0.85(oba)(4-bpdh)(0.5)](n)center dot 1.5DMF (TMU-5(Cd 15%)), [Cd0.3Zn0.7(oba)(4-bpdh)(0.5)](n)center dot 1.5DMF (TMU-5(Cd 30%)) and [Cd(oba)(4-bpdh)](n)center dot 1DMF (TMU-7) were synthesized using non-linear dicarboxylate and linear N-donor ligands, 4,4'-oxybis(benzoic acid) (H(2)oba) and 2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene (4-bpdh), respectively, and characterized by single-crystal X-ray crystallography. These MOFs were studied for phenol degradation from aqueous solutions under UV and/or visible light irradiation without auxiliary oxidants such as H2O2. Degradation efficiency in the presence of Zn-based MOFs is higher than that of the Cd-based MOF (TMU-7). Moreover, the high percentage degradation of phenol in the presence of TMU-5(30% Cd) is largely greater than that in other studies on MOF-5 and Degussa P-25 TiO2. The photocatalytic degradation of phenol in solution obeys first-order reaction kinetics