Blue-LED activated photocatalytic hydrogenation of nitroarenes with Cu2O/CuO heterojunctions

This study describes how the optimization of Cu2O/CuO heterostructures can enhance their (photo)catalytic performance. More specifically, the evaluation of catalysts with different Cu2O/CuO molar ratios was used to optimize their performance for the hydrogenation of 4-nitrophenol under both blue-LED light and dark conditions. For the first time, we analyzed the effect of blue LED irradiation on this reaction and found that when blue LEDs are used as the light source, a Cu2O/CuO ratio of 0.15 results in rate constants 7 to 3 times higher than those of catalysts with either lower (0.01) or higher (0.42) ratios. Furthermore, this photocatalyst shows good stability, >70% after 5 cycles, and excellent chemoselectivity in the selective reduction of the nitro group in the presence of other functionalities, i.e. –COOH, –CONH2 and –OH.The authors thank the Spanish Ministry of Science and Innovation and AEI/FEDER, UE for funding through the projects refs. RTI2018-099504-B-C21 and PID2021-128761OB-C21. This project has received funding from the Generalitat Valenciana under project ref. AICO/2021/132

N-3 fatty acids combined with flavan-3-ols prevent steatosis and liver injury in a murine model of NAFLD

Non-alcoholic fatty liver disease (NAFLD) affects 25% of adults and at present no licensed medication has been approved. Despite its complex patho-physiology, dietary strategies aiming at delaying or preventing NAFLD have taken a reductionist approach, examining the impact of single components. Accumulating evidence suggests that n-3 LC-PUFAs are efficacious in regulating lipogenesis and fatty acid oxidation. In addition, plant derived flavonoids are also emerging as a dietary strategy for NAFLD prevention, with efficacy attributed to their insulin sensitising and indirect antioxidant effects. Based on knowledge of their complementary molecular targets, we aimed to demonstrate that the combination of n-3 LC-PUFA (n-3) and flavan-3-ols (FLAV) prevents NAFLD. In a high-fat high-fructose (HF/HFr) fed C57Bl/6 J mouse model, the independent and interactive impact of n-3 and FLAV on histologically defined NAFLD, insulin sensitivity, weight gain, intestinal and hepatic gene expression, intestinal bile acids were examined. Only the combination of FLAV and n-3 (FLAVn-3) prevented steatosis as evidenced by a strong reduction in hepatocyte ballooning. While FLAV reduced body (− 28–30%), adipose tissue (− 45–50%) weights and serum insulin (− 22–25%) as observed following an intra-peritoneal glucose tolerance test, n-3 downregulated the expression of Srebf1 and the lipogenic genes (Acaca, Fasn). Significant impacts of interventions on intestinal bile acid metabolism, farnesoid X receptor (Fxr) signalling in the intestine and liver, and hepatic expression of fatty acid transporters (Fabp4, Vldlr, Cd36) were also evident. FLAVn-3 may be a novel intervention for NAFLD. Future research should aim to demonstrate its efficacy in the prevention and treatment of human NAFLD

Modeling Antibacterial Activity with Machine Learning and Fusion of Chemical Structure Information with Microorganism Metabolic Networks

Predicting the activity of new chemical compounds over pathogenic microorganisms with different metabolic reaction networks (MRNs) is an important goal due to the different susceptibility to antibiotics. The ChEMBL database contains >160 000 outcomes of preclinical assays of antimicrobial activity for 55 931 compounds with >365 parameters of activity (MIC, IC50, etc.) and >90 bacteria strains of >25 bacterial species. In addition, the Leong and Barabàsi data set includes >40 MRNs of microorganisms. However, there are no models able to predict antibacterial activity for multiple assays considering both drug and MRN structures at the same time. In this work, we combined perturbation theory, machine learning, and information fusion techniques to develop the first PTMLIF model. The best linear model found presented values of specificity = 90.31/90.40 and sensitivity = 88.14/88.07 in training/validation series. We carried out a comparison to nonlinear artificial neural network (ANN) techniques and previous models from the literature. Next, we illustrated the practical use of the model with an experimental case of study. We reported for the first time the isolation and characterization of terpenes from the plant Cissus incisa. The antibacterial activity of the terpenes was experimentally determined. The more active compounds were phytol and α-amyrin, with MIC = 100 μg/mL for Vancomycin-resistant Enterococcus faecium and Acinetobacter baumannii resistant to carbapenems. These compounds are already known from other sources. However, they have been isolated and evaluated for the first time here against several strains of multidrug-resistant bacteria including World Health Organization (WHO) priority pathogens. Last, we used the model to predict the activity of these compounds versus other microorganisms with different MRNs in order to find other potential targets.Ministerio de Economía y Competitividad (CTQ2016-74881-P) // Gobierno Vasco (IT1045-16

Aprende Emprende Perú

El presente trabajo de investigación consiste en el desarrollo de un plan de negocios de plataforma educativa dedicada a emprendedores con la propuesta de valor de contar con profesores que con su experiencia y dominio del curso que dictan (ejemplo: Finanzas para emprendedores, Marketing en redes sociales, Negociando con proveedores), logran que los emprendedores que recién están comenzando o quienes están idealizando el inicio de un emprendimiento puedan estar lo suficientemente motivados para no darse por vencidos y seguir mejorando día a día en su emprendimiento. Esta idea de solución nace al encontrarse en la incertidumbre de la pandemia del COVID-19, dado que muchas clases presenciales fueron canceladas y se debían innovar nuevas vías de poder brindar clases de manera online. Asimismo, es una gran oportunidad para los emprendedores quienes al no contar con mucho tiempo para realizar estas clases de manera presencial puedan lograr obtener los secretos de grandes profesionales en su propia disponibilidad de tiempo. Además de contar con clases grabadas también contará con un horario en donde se podrán comunicar con un asesor especializado en el curso que se encuentre inscrito para que se pueda orientar y sacar las dudas correspondientes. Este proyecto peruano desea dar la mejor enseñanza de educación virtual. En primera instancia, para comenzar con la investigación del proyecto se indentificó una segmentación, como la que ya se mencionó de emprendedores y futuros emprendedores, el cual nos ayudó a encontrar lo que nuestro publico objetivo deseaba. Luego, gracias a cada experimento que se realizó se pudo conocer más a fondo lo que los consumidores en sí deseaban en una plataforma de este tipo; así como el precio que podrían pagar mediante Conciergne. Por otro lado, para lograr ofrecer el servicio de enseñanza a los emprendedores se optó por elaborar la plataforma virtual con un propio dominio web y hosting, el cual brinda la información de lo que ofrece la empresa como cursos y precios y a su vez te permite registrarte con un usuario y contraseña para recibir las clases. A su vez, a través de este medio también es posible realizar el pago del servicio ya que al acecptar llevar el curso recibirás un código para realizar el pago mediante Pay U o poder realizar el pago mediante transferencia. Asimismo, la plataforma cuenta con enlaces directos a nuestras redes sociales de Instagram y Facebook.This research work consists of the development of a business plan for an educational platform dedicated to entrepreneurs with the value proposition of having teachers with their experience and mastery of the course they teach (example: Finances for entrepreneurs, Marketing in social networks , Negotiating with suppliers), they achieve that entrepreneurs who are just starting or those who are idealizing the start of a venture can be motivated enough not to give up and continue to improve day by day in their venture. This idea of ​​a solution was born when being in the uncertainty of the COVID-19 pandemic, since many face-to-face classes were canceled and new ways of being able to offer classes online had to be innovated. Likewise, it is a great opportunity for entrepreneurs who, since they do not have much time to do these classes in person, can obtain the secrets of great professionals in their own time availability. In addition to having recorded classes, they will also have a schedule where they can communicate with a specialized advisor in the course that is registered so that they can be guided and answer the corresponding doubts. This Peruvian project wants to give the best virtual education teaching. In the first instance, to begin with the investigation of the project, a segmentation was identified, such as the one already mentioned of entrepreneurs and future entrepreneurs, which helped us find what our target audience wanted. Then, thanks to each experiment that was carried out, it was possible to learn more about what the consumers themselves wanted in a platform of this type; as well as the price they could pay through the Conciergne. On the other hand, in order to offer the teaching service to entrepreneurs, it was decided to develop the virtual platform with its own web domain and hosting, which provides information on what the company offers such as courses and prices and in turn allows you to register. with a username and password to receive the classes. At the same time, through this means it is also possible to make the payment of the service since when you agree to take the course you will receive a code to make the payment through Pay U or to make the payment by transfer. Likewise, the platform has direct links to our social networks Instagram and Facebook.Trabajo de investigació

Improving the reporting quality of intervention trials addressing the inter-individual variability in response to the consumption of plant bioactives: quality index and recommendations

PURPOSE: The quality of the study design and data reporting in human trials dealing with the inter-individual variability in response to the consumption of plant bioactives is, in general, low. There is a lack of recommendations supporting the scientific community on this topic. This study aimed at developing a quality index to assist the assessment of the reporting quality of intervention trials addressing the inter-individual variability in response to plant bioactive consumption. Recommendations for better designing and reporting studies were discussed. METHODS: The selection of the parameters used for the development of the quality index was carried out in agreement with the scientific community through a survey. Parameters were defined, grouped into categories, and scored for different quality levels. The applicability of the scoring system was tested in terms of consistency and effort, and its validity was assessed by comparison with a simultaneous evaluation by experts' criteria. RESULTS: The "POSITIVe quality index" included 11 reporting criteria grouped into four categories (Statistics, Reporting, Data presentation, and Individual data availability). It was supported by detailed definitions and guidance for their scoring. The quality index score was tested, and the index demonstrated to be valid, reliable, and responsive. CONCLUSIONS: The evaluation of the reporting quality of studies addressing inter-individual variability in response to plant bioactives highlighted the aspects requiring major improvements. Specific tools and recommendations favoring a complete and transparent reporting on inter-individual variability have been provided to support the scientific community on this field

Mortality from gastrointestinal congenital anomalies at 264 hospitals in 74 low-income, middle-income, and high-income countries: a multicentre, international, prospective cohort study

Summary Background Congenital anomalies are the fifth leading cause of mortality in children younger than 5 years globally. Many gastrointestinal congenital anomalies are fatal without timely access to neonatal surgical care, but few studies have been done on these conditions in low-income and middle-income countries (LMICs). We compared outcomes of the seven most common gastrointestinal congenital anomalies in low-income, middle-income, and high-income countries globally, and identified factors associated with mortality. Methods We did a multicentre, international prospective cohort study of patients younger than 16 years, presenting to hospital for the first time with oesophageal atresia, congenital diaphragmatic hernia, intestinal atresia, gastroschisis, exomphalos, anorectal malformation, and Hirschsprung’s disease. Recruitment was of consecutive patients for a minimum of 1 month between October, 2018, and April, 2019. We collected data on patient demographics, clinical status, interventions, and outcomes using the REDCap platform. Patients were followed up for 30 days after primary intervention, or 30 days after admission if they did not receive an intervention. The primary outcome was all-cause, in-hospital mortality for all conditions combined and each condition individually, stratified by country income status. We did a complete case analysis. Findings We included 3849 patients with 3975 study conditions (560 with oesophageal atresia, 448 with congenital diaphragmatic hernia, 681 with intestinal atresia, 453 with gastroschisis, 325 with exomphalos, 991 with anorectal malformation, and 517 with Hirschsprung’s disease) from 264 hospitals (89 in high-income countries, 166 in middleincome countries, and nine in low-income countries) in 74 countries. Of the 3849 patients, 2231 (58·0%) were male. Median gestational age at birth was 38 weeks (IQR 36–39) and median bodyweight at presentation was 2·8 kg (2·3–3·3). Mortality among all patients was 37 (39·8%) of 93 in low-income countries, 583 (20·4%) of 2860 in middle-income countries, and 50 (5·6%) of 896 in high-income countries (p<0·0001 between all country income groups). Gastroschisis had the greatest difference in mortality between country income strata (nine [90·0%] of ten in lowincome countries, 97 [31·9%] of 304 in middle-income countries, and two [1·4%] of 139 in high-income countries; p≤0·0001 between all country income groups). Factors significantly associated with higher mortality for all patients combined included country income status (low-income vs high-income countries, risk ratio 2·78 [95% CI 1·88–4·11], p<0·0001; middle-income vs high-income countries, 2·11 [1·59–2·79], p<0·0001), sepsis at presentation (1·20 [1·04–1·40], p=0·016), higher American Society of Anesthesiologists (ASA) score at primary intervention (ASA 4–5 vs ASA 1–2, 1·82 [1·40–2·35], p<0·0001; ASA 3 vs ASA 1–2, 1·58, [1·30–1·92], p<0·0001]), surgical safety checklist not used (1·39 [1·02–1·90], p=0·035), and ventilation or parenteral nutrition unavailable when needed (ventilation 1·96, [1·41–2·71], p=0·0001; parenteral nutrition 1·35, [1·05–1·74], p=0·018). Administration of parenteral nutrition (0·61, [0·47–0·79], p=0·0002) and use of a peripherally inserted central catheter (0·65 [0·50–0·86], p=0·0024) or percutaneous central line (0·69 [0·48–1·00], p=0·049) were associated with lower mortality. Interpretation Unacceptable differences in mortality exist for gastrointestinal congenital anomalies between lowincome, middle-income, and high-income countries. Improving access to quality neonatal surgical care in LMICs will be vital to achieve Sustainable Development Goal 3.2 of ending preventable deaths in neonates and children younger than 5 years by 2030