Synthesis of water-soluble hemicoronenediimides by photocyclization of perylenediimides: Turn-on fluorescent probes in water by complexation with Cucurbit[7]uril or binding to G-quadruplex Motifs

A new series of perylene and hemicoronene diimides, obtained by visible light photocyclization, are presented, between them some remarkable examples that are soluble in only water, and give nanoparticles by selfassociation. Those compounds work as new fluorescent materials in water by complexation with cucurbit[7] uril, as well as selective G-quadruplex binding ligands with remarkable cytotoxic activity when the interaction with G4 was sufficiently strong.We acknowledge the Ministerio de Ciencia, Innovación y Universidades-FEDER (Grants PID2019-111215RB-100 and RTI2018- 102040-B-100), the Junta de Castilla y León, Consejería de Educación y Cultura y Fondo Social Europeo (Grants BU263P18 and BU305P18), “la Caixa” Foundation (LCF/PR/PR12/11070003) for financial support. A. R.C. thanks Secretaría General de Universidades for a FPU18/03225 Grant. This research has made use of the high-performance computing resources of the Castilla y León Supercomputing Center (SCAYLE, htt ps://www.scayle.es), financed by FEDER (Fondo Europeo de Desarrollo Regional). We thank Ms. Ma del Pilar Castroviejo-Fernández, from PCT, UBU, for assistance in AFM studies and Mr. Javier Gutierrez-Reguera from LTI, UVA, for assistance in DLS studies

Self-Assembly Hydrosoluble Coronenes: A Rich Source of Supramolecular Turn-On Fluorogenic Sensing Materials in Aqueous Media

Water-soluble coronenes, that form nanoparticles by self-association, work as new fluorescent materials by complexation with cucurbit[7]uril, as well as selective turn-on fluorogenic sensors for nitroaromatic explosives with remarkable selectivity, by using only water as solvent.NATO Science for Peace and Security Programme (SPS G5536), Ministerio de Ciencia, Innovación y Universidades-FEDER (PID2019-111215RB-100 and RTI2018-102040-B-100), Junta de Castilla y León, Consejería de Educación y Cultura y Fondo Social Europeo (BU263P18) and “la Caixa” Foundation (LCF/PR/PR12/11070003) for financial support. A.R.C. thanks Secretaría General de Universidades (FPU18/03225)

Worldwide trends in underweight and obesity from 1990 to 2022: a pooled analysis of 3663 population-representative studies with 222 million children, adolescents, and adults

Background Underweight and obesity are associated with adverse health outcomes throughout the life course. We estimated the individual and combined prevalence of underweight or thinness and obesity, and their changes, from 1990 to 2022 for adults and school-aged children and adolescents in 200 countries and territories. Methods We used data from 3663 population-based studies with 222 million participants that measured height and weight in representative samples of the general population. We used a Bayesian hierarchical model to estimate trends in the prevalence of different BMI categories, separately for adults (age ≥20 years) and school-aged children and adolescents (age 5–19 years), from 1990 to 2022 for 200 countries and territories. For adults, we report the individual and combined prevalence of underweight (BMI <18·5 kg/m2) and obesity (BMI ≥30 kg/m2). For schoolaged children and adolescents, we report thinness (BMI <2 SD below the median of the WHO growth reference) and obesity (BMI >2 SD above the median). Findings From 1990 to 2022, the combined prevalence of underweight and obesity in adults decreased in 11 countries (6%) for women and 17 (9%) for men with a posterior probability of at least 0·80 that the observed changes were true decreases. The combined prevalence increased in 162 countries (81%) for women and 140 countries (70%) for men with a posterior probability of at least 0·80. In 2022, the combined prevalence of underweight and obesity was highest in island nations in the Caribbean and Polynesia and Micronesia, and countries in the Middle East and north Africa. Obesity prevalence was higher than underweight with posterior probability of at least 0·80 in 177 countries (89%) for women and 145 (73%) for men in 2022, whereas the converse was true in 16 countries (8%) for women, and 39 (20%) for men. From 1990 to 2022, the combined prevalence of thinness and obesity decreased among girls in five countries (3%) and among boys in 15 countries (8%) with a posterior probability of at least 0·80, and increased among girls in 140 countries (70%) and boys in 137 countries (69%) with a posterior probability of at least 0·80. The countries with highest combined prevalence of thinness and obesity in school-aged children and adolescents in 2022 were in Polynesia and Micronesia and the Caribbean for both sexes, and Chile and Qatar for boys. Combined prevalence was also high in some countries in south Asia, such as India and Pakistan, where thinness remained prevalent despite having declined. In 2022, obesity in school-aged children and adolescents was more prevalent than thinness with a posterior probability of at least 0·80 among girls in 133 countries (67%) and boys in 125 countries (63%), whereas the converse was true in 35 countries (18%) and 42 countries (21%), respectively. In almost all countries for both adults and school-aged children and adolescents, the increases in double burden were driven by increases in obesity, and decreases in double burden by declining underweight or thinness. Interpretation The combined burden of underweight and obesity has increased in most countries, driven by an increase in obesity, while underweight and thinness remain prevalent in south Asia and parts of Africa. A healthy nutrition transition that enhances access to nutritious foods is needed to address the remaining burden of underweight while curbing and reversing the increase in obesit

New AIE luminogens from the naphthalimide and peryleneimide series: Assembly on nanostructured materials for explosive detection

La presente Tesis Doctoral se desarrolla por compendio de cuatro capítulos más uno en el que se detalla la base teórica y los procedimientos experimentales seguidos en los demás. A partir de cada uno de ellos se pretende publicar un artículo científico (alguno de los cuales se encuentra, actualmente, en este proceso), de modo que, cada uno es un documento independiente que puede ser leído y comprendido sin necesidad de los demás. Todos los capítulos se engloban dentro de un mismo campo de investigación: la química orgánica y el fenómeno de la fluorescencia. Por tanto, cada uno de los capítulos aborda un aspecto diferente de varias familias de compuestos de nafalenomonoimidas (NMI) y perilenomonoimidas (PMI), pero con múltiples características comunes. Así pues, aunque cada capítulo pueda considerarse como un elemento independiente de los demás, todos ellos constituyen un conjunto cuya lectura permite obtener una visión amplia y completa de la investigación realizada y de los aspectos estudiados.This Doctoral Thesis is a compendium of four chapters plus one in which the theoretical basis and the experimental procedures followed in the others are detailed. From each of them, a scientific article (some of which are currently in the process of being published) will be intended to publish, so that each one is an independent document that can be read and understood without the need for the others. All the chapters fall within the same field of research: organic chemistry and the phenomenon of fluorescence. Therefore, each chapter deals with a different aspect of several families of naphthalenemonoimide (NMI) and perylenemonoimide (PMI) compounds, but with many common features. Thus, although each chapter can be considered as an independent element of the others, all of them constitute a whole whose reading allows to obtain a broad and complete view of the research carried out and the aspects studied.Agradezco al Ministerio de Ciencia, Innovación y Universidades la financiación destinada a la elaboración de la presente Tesis Doctoral a través de la convocatoria de 2018 de las Ayudas para la Formación de Profesorado Universitario, FPU18/03225. Sin esta beca, mi Tesis Doctoral no habría existido. También agradezco al Ministerio de Universidades la financiación a través de la convocatoria de 2022 de las Ayudas a la movilidad para estancias breves y traslados temporales para beneficiarios del programa de Formación de Profesorado Universitario, EST22/00518, gracias a la cual pude realizar la estancia en el Departamento “Ugo Schiff” de la Universidad de Florencia

Microwave Detection of Wet Triacetone Triperoxide (TATP): Non‐Covalent Forces and Water Dynamics

The water adducts of triacetone triperoxide (TATP) have been observed by using broadband rotational spectroscopy. This work opens a new way for the gas-phase detection of this improvised explosive. The observed clusters exhibit unusual water dynamics and rarely observed multicenter interactions. TATP-H2O is formed from the D3 symmetry conformer of TATP with water lying close to the C3 axis. Water rotation around this axis with a very low barrier gives rise to the rotational spectrum of a symmetric top. The main interaction of the monohydrate is a four-center trifurcated donor Ow-H⋅⋅⋅O hydrogen bond, not observed previously in the gas phase, reinforced by a weak four-center trifurcated acceptor C−H⋅⋅⋅Ow interaction. Surprisingly, all structural signatures show the weakness of these interactions. The complex TATP-(H2O)2 is formed from the monohydrated TATP by the self-association of water.SB, AM, and JCL acknowledge the Ministerio de Economía y Competitividad (Grant CTQ2016-75253-P) for financial support. JGC, ARC, and TT acknowledge the NATO Science for Peace and Security Programme (Grant SPS G5536), Junta de Castilla y León, Consejería de Educación y Cultura y Fondo Social Europeo (Grant BU263P18) and the Ministerio de Ciencia e Innovación (Grant PID2019-111215RB-100) for financial support

Dye-modified silica–anatase nanoparticles for the ultrasensitive fluorogenic detection of the improvised explosive TATP in an air microfluidic device

We describe the proof of concept of a portable testing setup for the detection of triacetone triperoxide (TATP), a common component in improvised explosive devices. The system will allow field-testing and generation of real-time results to test for TATP vapor traces in a number of different environments. It will work by recirculating the gas samples in connection to the sensing mechanism in a suitable microfluidic portable device. In this way, the system will allow controlled trapping of the analyte in the chemical sensor to afford reliable results at very low concentrations in air.This research was funded by the NATO Science for Peace and Security Programme (Grant SPS G5536), the Junta de Castilla y León, Consejería de Educación y Cultura y Fondo Social Europeo (Grant BU263P18) and the Ministerio de Ciencia e Innovación (Grant PID2019-111215RB-100). Financial support from Latvian Institute of Organic Synthesis is gratefully acknowledged (internal grant: IG-2021-01). This research has made use of the high performance computing resources of the Castilla y León Supercomputing Center (SCAYLE, https://www. scayle.es), financed by FEDER (Fondo Europeo de Desarrollo Regional)

Silica Nanoparticle/Fluorescent Dye Assembly Capable of Ultrasensitively Detecting Airborne Triacetone Triperoxide: Proof-of-Concept Detection of Improvised Explosive Devices in the Workroom

We describe the proof of concept of a portable testing setup for the detection of triacetone triperoxide (TATP), a common component in improvised explosive devices. The system allows for field testing and generation of real-time results to test for TATP vapor traces in air by simply using circulation of the air samples through the sensing mechanism under the air conditioning system of an ordinary room. In this way, the controlled trapping of the analyte in the chemical sensor gives reliable results at extremely low concentrations of TATP in air under real-life conditions, suitable for daily use in luggage storage for airlines or a locker room for a major sporting event. The reported fluorescent methodology is very sensitive and selective, allowing for the trapping of triacetone triperoxide in the chemical sensor to give reliable results at very low concentrations in air under ambient conditions, by comparing the fluorescence of the material before and after exposition to TATP traces in air.This research was funded by the NATO Science for Peace and Security Programme (Grant SPS G5536) and the Ministerio de Ciencia e Innovación (Grants PID2019-111215RB-I00 and PDC2022-133955-I00). A.R.-C. thanks Secretaría General de Universidades for a FPU18/03225 Grant. The authors thank J. Rafael Santana-Tejada, from Movilmatica (www.movilmatica.com) for technical assistance with the preparation of the app

New fluorescent reporters capable of Ultra-sensitively detecting trinitrotoluene on surfaces: A proof-of-concept for finding hidden nitroaromatics in the workroom

We describe the proof of concept of a portable testing setup for the detection of trinitrotoluene (TNT), a common component in hidden explosive devices. The system allows for field-testing and generation of real-time results to test for TNT traces in surfaces by simply using a filter paper and a fluorescent reporter. In this way, the controlled trapping and detection of the analyte by a chemical sensor gives reliable results at extremely low concentrations of TNT on surfaces under real life conditions suitable for daily use in ordinary sampling for example at airlines luggage storage or sport locker rooms. The reported fluorescent methodology is very sensitive and selective, allowing for the trapping and detection of TNT by a fluorescent reporter to give reliable results at very low concentrations. As a complement, we report the preparation of a modified Sylgard film that is useful under real conditions for qualitative fluorescent detection of hidden traces of TNT on surfaces or fingers by a swab method. The combination of quantitative and qualitative detection of TNT traces on surfaces constitutes a comprehensive new method for the detection of hidden nitroaromatic explosives in the workplace.This research was funded by the NATO Science for Peace and Security Programme (Grant SPS G5536) and the Ministerio de Ciencia e Innovación (Grants PID2019-111215RB-I00 and PDC2022-133955-I00). A. R. C. thanks Secretaría General de Universidades for a FPU18/03225 Grant

Worldwide trends in underweight and obesity from 1990 to 2022: a pooled analysis of 3663 population-representative studies with 222 million children, adolescents, and adults

Background: Underweight and obesity are associated with adverse health outcomes throughout the life course. We estimated the individual and combined prevalence of underweight or thinness and obesity, and their changes, from 1990 to 2022 for adults and school-aged children and adolescents in 200 countries and territories. Methods: We used data from 3663 population-based studies with 222 million participants that measured height and weight in representative samples of the general population. We used a Bayesian hierarchical model to estimate trends in the prevalence of different BMI categories, separately for adults (age ≥20 years) and school-aged children and adolescents (age 5-19 years), from 1990 to 2022 for 200 countries and territories. For adults, we report the individual and combined prevalence of underweight (BMI <18·5 kg/m2) and obesity (BMI ≥30 kg/m2). For school-aged children and adolescents, we report thinness (BMI <2 SD below the median of the WHO growth reference) and obesity (BMI >2 SD above the median). Findings: From 1990 to 2022, the combined prevalence of underweight and obesity in adults decreased in 11 countries (6%) for women and 17 (9%) for men with a posterior probability of at least 0·80 that the observed changes were true decreases. The combined prevalence increased in 162 countries (81%) for women and 140 countries (70%) for men with a posterior probability of at least 0·80. In 2022, the combined prevalence of underweight and obesity was highest in island nations in the Caribbean and Polynesia and Micronesia, and countries in the Middle East and north Africa. Obesity prevalence was higher than underweight with posterior probability of at least 0·80 in 177 countries (89%) for women and 145 (73%) for men in 2022, whereas the converse was true in 16 countries (8%) for women, and 39 (20%) for men. From 1990 to 2022, the combined prevalence of thinness and obesity decreased among girls in five countries (3%) and among boys in 15 countries (8%) with a posterior probability of at least 0·80, and increased among girls in 140 countries (70%) and boys in 137 countries (69%) with a posterior probability of at least 0·80. The countries with highest combined prevalence of thinness and obesity in school-aged children and adolescents in 2022 were in Polynesia and Micronesia and the Caribbean for both sexes, and Chile and Qatar for boys. Combined prevalence was also high in some countries in south Asia, such as India and Pakistan, where thinness remained prevalent despite having declined. In 2022, obesity in school-aged children and adolescents was more prevalent than thinness with a posterior probability of at least 0·80 among girls in 133 countries (67%) and boys in 125 countries (63%), whereas the converse was true in 35 countries (18%) and 42 countries (21%), respectively. In almost all countries for both adults and school-aged children and adolescents, the increases in double burden were driven by increases in obesity, and decreases in double burden by declining underweight or thinness. Interpretation: The combined burden of underweight and obesity has increased in most countries, driven by an increase in obesity, while underweight and thinness remain prevalent in south Asia and parts of Africa. A healthy nutrition transition that enhances access to nutritious foods is needed to address the remaining burden of underweight while curbing and reversing the increase in obesity. Funding: UK Medical Research Council, UK Research and Innovation (Research England), UK Research and Innovation (Innovate UK), and European Union

General and abdominal adiposity and hypertension in eight world regions: a pooled analysis of 837 population-based studies with 7·5 million participants

International audienceSummaryBackground Adiposity can be measured using BMI (which is based on weight and height) as well as indices of abdominal adiposity. We examined the association between BMI and waist-to-height ratio (WHtR) within and across populations of different world regions and quantified how well these two metrics discriminate between people with and without hypertension.MethodsWe used data from studies carried out from 1990 to 2023 on BMI, WHtR and hypertension in people aged 20–64 years in representative samples of the general population in eight world regions. We graphically compared the regional distributions of BMI and WHtR, and calculated Pearson’s correlation coefficients between BMI and WHtR within each region. We used mixed-effects linear regression to estimate the extent to which WHtR varies across regions at the same BMI. We graphically examined the prevalence of hypertension and the distribution of people who have hypertension both in relation to BMI and WHtR, and we assessed how closely BMI and WHtR discriminate between participants with and without hypertension using C-statistic and net reclassification improvement (NRI).FindingsThe correlation between BMI and WHtR ranged from 0·76 to 0·89 within different regions. After adjusting for age and BMI, mean WHtR was highest in south Asia for both sexes, followed by Latin America and the Caribbean and the region of central Asia, Middle East and north Africa. Mean WHtR was lowest in central and eastern Europe for both sexes, in the high-income western region for women, and in Oceania for men. Conversely, to achieve an equivalent WHtR, the BMI of the population of south Asia would need to be, on average, 2·79 kg/m² (95% CI 2·31–3·28) lower for women and 1·28 kg/m² (1·02–1·54) lower for men than in the high-income western region. In every region, hypertension prevalence increased with both BMI and WHtR. Models with either of these two adiposity metrics had virtually identical C-statistics and NRIs for every region and sex, with C-statistics ranging from 0·72 to 0·81 and NRIs ranging from 0·34 to 0·57 in different region and sex combinations. When both BMI and WHtR were used, performance improved only slightly compared with using either adiposity measure alone.InterpretationBMI can distinguish young and middle-aged adults with higher versus lower amounts of abdominal adiposity with moderate-to-high accuracy, and both BMI and WHtR distinguish people with or without hypertension. However, at the same BMI level, people in south Asia, Latin America and the Caribbean, and the region of central Asia, Middle East and north Africa, have higher WHtR than in the other regions