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1.
Mol Psychiatry ; 2024 Feb 27.
Artigo em Inglês | MEDLINE | ID: mdl-38409595

RESUMO

Down syndrome (DS) stands as the prevalent genetic cause of intellectual disability, yet comprehensive understanding of its cellular and molecular underpinnings remains limited. In this study, we explore the cellular landscape of the hippocampus in a DS mouse model, the Ts65Dn, through single-nuclei transcriptional profiling. Our findings demonstrate that trisomy manifests as a highly specific modification of the transcriptome within distinct cell types. Remarkably, we observed a significant shift in the transcriptomic profile of granule cells in the dentate gyrus (DG) associated with trisomy. We identified the downregulation of a specific small nucleolar RNA host gene, Snhg11, as the primary driver behind this observed shift in the trisomic DG. Notably, reduced levels of Snhg11 in this region were also observed in a distinct DS mouse model, the Dp(16)1Yey, as well as in human postmortem brain tissue, indicating its relevance in Down syndrome. To elucidate the function of this long non-coding RNA (lncRNA), we knocked down Snhg11 in the DG of wild-type mice. Intriguingly, this intervention alone was sufficient to impair synaptic plasticity and adult neurogenesis, resembling the cognitive phenotypes associated with trisomy in the hippocampus. Our study uncovers the functional role of Snhg11 in the DG and underscores the significance of this lncRNA in intellectual disability. Furthermore, our findings highlight the importance of DG in the memory deficits observed in Down syndrome.

2.
Cell Mol Life Sci ; 80(12): 370, 2023 Nov 21.
Artigo em Inglês | MEDLINE | ID: mdl-37989807

RESUMO

Individuals with Down syndrome (DS) have a higher prevalence of obesity compared to the general population. Conventionally, this has been attributed to endocrine issues and lack of exercise. However, deficits in neural reward responses and dopaminergic disturbances in DS may be contributing factors. To investigate this, we focused on a mouse model (Ts65Dn) bearing some triplicated genes homologous to trisomy 21. Through detailed meal pattern analysis in male Ts65Dn mice, we observed an increased preference for energy-dense food, pointing towards a potential "hedonic" overeating behavior. Moreover, trisomic mice exhibited higher scores in compulsivity and inflexibility tests when limited access to energy-dense food and quinine hydrochloride adulteration were introduced, compared to euploid controls. Interestingly, when we activated prelimbic-to-nucleus accumbens projections in Ts65Dn male mice using a chemogenetic approach, impulsive and compulsive behaviors significantly decreased, shedding light on a promising intervention avenue. Our findings uncover a novel mechanism behind the vulnerability to overeating and offer potential new pathways for tackling obesity through innovative interventions.


Assuntos
Síndrome de Down , Trissomia , Humanos , Masculino , Camundongos , Animais , Síndrome de Down/genética , Modelos Animais de Doenças , Córtex Pré-Frontal , Hiperfagia/genética , Obesidade/genética
3.
Int J Mol Sci ; 25(6)2024 Mar 14.
Artigo em Inglês | MEDLINE | ID: mdl-38542263

RESUMO

Research on microglia in Down syndrome (DS) has shown that microglial activation, increased inflammatory gene expression, and oxidative stress occur at different ages in DS brains. However, most studies resulted in simplistic definitions of microglia as quiescent or active, ignoring potential intermediate states. Indeed, recent work on microglial cells in young DS brains indicated that those evolve through different intermediate activation phenotypes before reaching a fully activated state. Here we used single nucleus RNA sequencing, to examine how trisomy affects microglial states in the Ts65Dn mouse model of DS. Despite no substantial changes in the proportion of glial populations, differential expression analysis revealed cell type-specific gene expression changes, most notably in astroglia, microglia, and oligodendroglia. Focusing on microglia, we identified differential expression of genes associated with different microglial states, including disease-associated microglia (DAMs), activated response microglia (ARMs), and human Alzheimer's disease microglia (HAMs), in trisomic microglia. Furthermore, pseudotime analysis reveals a unique reactivity profile in Ts65Dn microglia, with fewer in a homeostatic state and more in an intermediate aberrantly reactive state than in euploid microglia. This comprehensive understanding of microglial transcriptional dynamics sheds light on potential pathogenetic mechanisms but also possible avenues for therapy for neurodevelopmental disorders.


Assuntos
Doença de Alzheimer , Síndrome de Down , Animais , Camundongos , Humanos , Microglia/metabolismo , Síndrome de Down/metabolismo , Perfilação da Expressão Gênica , Doença de Alzheimer/metabolismo , Neuroglia/metabolismo
4.
PLoS Comput Biol ; 17(9): e1009317, 2021 09.
Artigo em Inglês | MEDLINE | ID: mdl-34570756

RESUMO

Trisomy of human chromosome 21 (HSA21) causes Down syndrome (DS). The trisomy does not simply result in the upregulation of HSA21--encoded genes but also leads to a genome-wide transcriptomic deregulation, which affect differently each tissue and cell type as a result of epigenetic mechanisms and protein-protein interactions. We performed a meta-analysis integrating the differential expression (DE) analyses of all publicly available transcriptomic datasets, both in human and mouse, comparing trisomic and euploid transcriptomes from different sources. We integrated all these data in a "DS network". We found that genome wide deregulation as a consequence of trisomy 21 is not arbitrary, but involves deregulation of specific molecular cascades in which both HSA21 genes and HSA21 interactors are more consistently deregulated compared to other genes. In fact, gene deregulation happens in "clusters", so that groups from 2 to 13 genes are found consistently deregulated. Most of these events of "co-deregulation" involve genes belonging to the same GO category, and genes associated with the same disease class. The most consistent changes are enriched in interferon related categories and neutrophil activation, reinforcing the concept that DS is an inflammatory disease. Our results also suggest that the impact of the trisomy might diverge in each tissue due to the different gene set deregulation, even though the triplicated genes are the same. Our original method to integrate transcriptomic data confirmed not only the importance of known genes, such as SOD1, but also detected new ones that could be extremely useful for generating or confirming hypotheses and supporting new putative therapeutic candidates. We created "metaDEA" an R package that uses our method to integrate every kind of transcriptomic data and therefore could be used with other complex disorders, such as cancer. We also created a user-friendly web application to query Ensembl gene IDs and retrieve all the information of their differential expression across the datasets.


Assuntos
Síndrome de Down/genética , Animais , Cromossomos Humanos Par 21/genética , Biologia Computacional , Bases de Dados Genéticas , Modelos Animais de Doenças , Perfilação da Expressão Gênica , Regulação da Expressão Gênica , Ontologia Genética , Redes Reguladoras de Genes , Humanos , Interferons/genética , Camundongos , Ativação de Neutrófilo/genética , Software
5.
Sensors (Basel) ; 20(5)2020 Mar 03.
Artigo em Inglês | MEDLINE | ID: mdl-32138323

RESUMO

Two Covalent Organic Frameworks (COF), named TFP-BZ and TFP-DMBZ, were synthesized using the imine condensation between 1,3,5-triformylphloroglucinol (TFP) with benzidine (BZ) or 3,3-dimethylbenzidine (DMBZ). These materials were deposited, such as films over interdigitated electrodes (IDE), by chemical bath deposition, giving rise to TFP-BZ-IDE and TFP-DMBZ-IDE systems. The synthesized COFs powders were characterized by Powder X-Ray Diffraction (PXRD), Fourier Transform Infrared spectroscopy (FT-IR), solid-state Nuclear Magnetic Resonance (ssNMR), nitrogen adsorption isotherms, Scanning Electron Microscopy (SEM), and Raman spectroscopy, while the films were characterized by SEM and Raman. Ammonia and low molecular weight amine sensing were developed with the COF film systems using the impedance electrochemical spectroscopy (EIS). Results showed that the systems TFP-BZ-IDE and TFP-DMBZ-IDE detect low molecular weight amines selectively by impedimetric analysis. Remarkably, with no significant interference by other atmospheric gas compounds such as nitrogen, carbon dioxide, and methane. Additionally, both COF films presented a range of sensitivity at low amine concentrations below two ppm at room temperature.

6.
J Phys Chem A ; 123(30): 6496-6505, 2019 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-31288515

RESUMO

In this contribution, we examine the photophysical properties of 15 totally trans-trans 1,4-distyrylbenzene derivatives (DSBs) functionalized with different electron-donating (ED) and electron-withdrawing (EW) groups by experimental and computational methodologies. We use UV-vis and fluorescence spectroscopies to determine the experimental optical properties such as the maximum absorption (λabsexp) and emission (λemexp) wavelengths, the highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) energy gaps (ΔEabsexp), the molar extinction coefficients (ε), the fluorescence quantum yields (Φf), and the fluorescence lifetimes (τ). We also calculate the experimental spontaneous emission decay rate (krexp) and correlate all of these magnitudes to the corresponding calculated properties, maximum absorption (λabscal) and emission (λemcal) wavelengths, vertical transition energies (ΔEabscal), oscillator strength (Fosc), and spontaneous emission decay rate (krcal), obtained by the time-dependent density functional theory method. We analyze the effect of the electronic nature of the substituents on the properties of the DSBs, finding that the ED and EW groups lead to bathochromic shifts. This is consistent with the decrease of ΔE values as the strength of ED and EW substituents increases. We find excellent correlations between calculated and experimental values for λabs, λem, and ΔEabs (r ∼ 0.99-0.95). Additionally, the correlations between the relative ε with Fosc values and the kr values are in good agreement (r ∼ 0.88-0.72) with the experimental properties. Overall, we find that for substituted 1,4-DSBs, computational chemistry is an excellent tool to predict structure-property relationships, which can be useful to forecast the properties of their polymeric analogues, which are usually difficult to determine experimentally.

7.
Med Res Rev ; 37(5): 987-1050, 2017 09.
Artigo em Inglês | MEDLINE | ID: mdl-28005280

RESUMO

Multidrug resistance (MDR) in cancer cells is the development of resistance to a variety of structurally and functionally nonrelated anticancer drugs. This phenomenon has become a major obstacle to cancer chemotherapy seriously affecting the clinical outcome. MDR is associated with increased drug efflux from cells mediated by an energy-dependent mechanism involving the ATP-binding cassette (ABC) transporters, mainly P-glycoprotein (ABCB1), the MDR-associated protein-1 (ABCC1), and the breast cancer resistance protein (ABCG2). The first two transporters have been widely studied already and reviews summarized the results. The ABCG2 protein has been a subject of intense study since its discovery as its overexpression has been detected in resistant cell lines in numerous types of human cancers. To date, a long list of modulators of ABCG2 exists and continues to increase. However, little is known about the clinical consequences of ABCG2 modulation. This makes the design of novel, potent, and nontoxic inhibitors of this efflux protein a major challenge to reverse MDR and thereby increase the success of chemotherapy. The aim of the present review is to describe and highlight specific and nonspecific modulators of ABCG2 reported to date based on the selectivity of the compounds, as many of them are effective against one or more ABC transport proteins.


Assuntos
Membro 2 da Subfamília G de Transportadores de Cassetes de Ligação de ATP/metabolismo , Animais , Produtos Biológicos/química , Produtos Biológicos/farmacologia , Flavonoides/química , Flavonoides/farmacologia , Humanos
8.
Heliyon ; 10(1): e23108, 2024 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-38169729

RESUMO

Using biopolymers functionalized with antibacterial agents to manufacture active packaging is a clean alternative to mitigate food losses due to postharvest plant diseases. In this study, two mycosynthetized AgNPs impregnation methodologies on cotton (cationization and in situ biochemical reduction) were used to obtain the antibacterial fibers (A-AgNPs-C and A-AgNPs-IBR), which, in addition to being characterized by SEM-EDX, XRD, were evaluated as antibacterial materials. The cotton fibers showed growth inhibition of Pectobacterium carotovorum at 48 h. The reuse tests of these cotton fibers showed that the two types of fibers could have up to three successive uses without losing their effectiveness, regardless of the impregnation method used. Is important to highlight that the retention tests indicated that the AgNPs remain attached to the A-AgNPs-C and A-AgNPs-IBR fibers after several successive washes. Finally, the mycosynthesized AgNPs were also impregnated on fique fibers (Fique-AgNPs) by cationization to obtain little antibacterial sacks. Nanostructured materials that in in vivo tests on potatoes showed only 7.8 % of affectation, while the tubers stored in the traditional sacks had an affectation of 25 %. This immobilization of AgNPs in natural fibers will allow the development of a nanobiotechnological application in the storage and transport of potatoes, after performing some additional cytotoxicity tests to guarantee its safety.

9.
Res Sq ; 2023 Sep 25.
Artigo em Inglês | MEDLINE | ID: mdl-37841843

RESUMO

Down syndrome (DS) stands as the prevalent genetic cause of intellectual disability, yet comprehensive understanding of its cellular and molecular underpinnings remains limited. In this study, we explore the cellular landscape of the hippocampus in a DS mouse model through single-nuclei transcriptional profiling. Our findings demonstrate that trisomy manifests as a highly specific modification of the transcriptome within distinct cell types. Remarkably, we observed a significant shift in the transcriptomic profile of granule cells in the dentate gyrus (DG) associated with trisomy. We identified the downregulation of a specific small nucleolar RNA host gene, Snhg11, as the primary driver behind this observed shift in the trisomic DG. Notably, reduced levels of Snhg11 in this region were also observed in a distinct DS mouse model, the Dp(16)1Yey, as well as in human postmortem tissue, indicating its relevance in Down syndrome. To elucidate the function of this long non-coding RNA (lncRNA), we knocked down Snhg11 in the DG of wild-type mice. Intriguingly, this intervention alone was sufficient to impair synaptic plasticity and adult neurogenesis, resembling the cognitive phenotypes associated with trisomy in the hippocampus. Our study uncovers the functional role of Snhg11 in the DG and underscores the significance of this lncRNA in intellectual disability. Furthermore, our findings highlight the importance of the DG in the memory deficits observed in Down syndrome.

10.
Front Psychiatry ; 14: 1279688, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-38348362

RESUMO

Major depressive disorder (MDD) is the most common psychiatric disease worldwide with a huge socio-economic impact. Pharmacotherapy represents the most common option among the first-line treatment choice; however, only about one third of patients respond to the first trial and about 30% are classified as treatment-resistant depression (TRD). TRD is associated with specific clinical features and genetic/gene expression signatures. To date, single sets of markers have shown limited power in response prediction. Here we describe the methodology of the PROMPT project that aims at the development of a precision medicine algorithm that would help early detection of non-responder patients, who might be more prone to later develop TRD. To address this, the project will be organized in 2 phases. Phase 1 will involve 300 patients with MDD already recruited, comprising 150 TRD and 150 responders, considered as extremes phenotypes of response. A deep clinical stratification will be performed for all patients; moreover, a genomic, transcriptomic and miRNomic profiling will be conducted. The data generated will be exploited to develop an innovative algorithm integrating clinical, omics and sex-related data, in order to predict treatment response and TRD development. In phase 2, a new naturalistic cohort of 300 MDD patients will be recruited to assess, under real-world conditions, the capability of the algorithm to correctly predict the treatment outcomes. Moreover, in this phase we will investigate shared decision making (SDM) in the context of pharmacogenetic testing and evaluate various needs and perspectives of different stakeholders toward the use of predictive tools for MDD treatment to foster active participation and patients' empowerment. This project represents a proof-of-concept study. The obtained results will provide information about the feasibility and usefulness of the proposed approach, with the perspective of designing future clinical trials in which algorithms could be tested as a predictive tool to drive decision making by clinicians, enabling a better prevention and management of MDD resistance.

11.
Free Neuropathol ; 32022 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-37284163

RESUMO

With a prevalence of 2-4% of the worldwide population, neurodevelopmental disorders (NDDs) comprise a heterogeneous group of disorders associated with neurodevelopmental dysfunction, including intellectual disability (ID), autism spectrum disorder (ASD), Down syndrome (DS) and attention-deficit/hyperactivity disorder (ADHD) among others. However, due to their heterogeneity and overlapping clinical features, NDDs such as ASD are often misdiagnosed, while for others with more distinct symptoms, such as Rett syndrome or DS, the mechanisms underlying their pathogenesis remain elusive. Last year, important steps in the mechanistic understanding of several NDDs have been achieved. New preclinical models demonstrated causality between PAK3 mutations and disorders associated with social deficiencies. ARID1B mutations have been linked to neuroectoderm specification in Coffin-Siris syndrome and DNA damage was established as an important pathologic mechanism in Aicardi-Goutières syndrome. Moreover, alterations in basic molecular processes including translation and histone acetylation have been established as major traits in the pathology of X-linked ID and Rett syndrome, revealing new pathogenetic mechanisms. Last year, advances in bioinformatics have begun to shed light on the human repeatome, a largely unexplored part of our genome, and how alterations in these sequences have a central role in ASD. The role of mitochondria in neuropathology was clarified last year with the discovery of previously unknown vesicles derived from mitochondria with a putative role in DS. An interesting discovery in the field of basic neurodevelopment showed that during postnatal brain development, changes in genome architecture and transcriptional dynamics progress independently of sensory experience. Finally, our neurocentric views of NDDs are changing as new players such as astrocytes are revealed to be crucial in neuropathology. The role of astrocytes has been clarified for some pathologies such as ASD and DS, linking well-known genetic mutations to impaired astrocyte function.

12.
Front Behav Neurosci ; 15: 772734, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34803627

RESUMO

The use of mouse models has revolutionized the field of Down syndrome (DS), increasing our knowledge about neuropathology and helping to propose new therapies for cognitive impairment. However, concerns about the reproducibility of results in mice and their translatability to humans have become a major issue, and controlling for moderators of behavior is essential. Social and environmental factors, the experience of the researcher, and the sex and strain of the animals can all have effects on behavior, and their impact on DS mouse models has not been explored. Here we analyzed the influence of a number of social and environmental factors, usually not taken into consideration, on the behavior of male and female wild-type and trisomic mice (the Ts65Dn model) in one of the most used tests for proving drug effects on memory, the novel object recognition (NOR) test. Using principal component analysis and correlation matrices, we show that the ratio of trisomic mice in the cage, the experience of the experimenter, and the timing of the test have a differential impact on male and female and on wild-type and trisomic behavior. We conclude that although the NOR test is quite robust and less susceptible to environmental influences than expected, to obtain useful results, the phenotype expression must be contrasted against the influences of social and environmental factors.

13.
J Food Sci ; 86(4): 1372-1383, 2021 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-33761136

RESUMO

To achieve a suitable packaging configuration, it is important first to determine the physicochemical characteristics related to the packaged product. In this study, the physicochemical characterization of fresh purple passion fruits of three different ripening stages was carried out to determine key variables for the packaging, such as O2 consumption and CO2 -ethylene production rates. Subsequently, intermediate-ripe fruits were packaged for 21 days at 6 °C under three packaging conditions: Xtend® perforated bags, low-density polyethylene (LDPE) bags, and LDPE bags with a novel ethylene scavenger active additive (ESAA). It was observed that an equilibrium modified atmosphere was formed in the packages. For the Xtend® bags, the highest values of O2 (yo2  = 0.184 to 0.192) and lowest of CO2 (yco2  = 0.033 to 0.041) were reached, whereas for the LDPE bags with ESAA these values were moderate. In the case of ethylene, the LDPE bags showed the highest levels in the headspace (26 to 31 ppm), whereas the lowest levels were obtained in the LDPE bags with additive (2 to 4 ppm). These levels resulted in a delay in the ripening of the fruits during storage, which was verified through a sensory acceptability test that was carried out on the juice extracted from the fruits. In this sensory test, panelists identified similar characteristics between the fruits packaged with ESAA and the Xtend® bags, regarding the control fruits. The LDPE bags with the ethylene scavenger performed satisfactorily and can considerably delay the ripening, which may result in longer shelf life and conservation of fresh purple passion fruits. PRACTICAL APPLICATION: This work presents a novel packaging proposal that reduces oxygen and ethylene levels in contact with purple passion fruits. Our proposed active packaging can be used to increase the fruit shelf life by improving its conservation conditions throughout the chain of storage, transport, and distribution in the market. With this, it will be possible to reduce the fruit's losses due to senescence and to reduce the substrate consumption by using a more effective packaging system.


Assuntos
Dióxido de Carbono/metabolismo , Etilenos/química , Embalagem de Alimentos/métodos , Oxigênio/metabolismo , Passiflora/química , Sensação , Paladar/fisiologia , Adolescente , Adulto , Atmosfera , Cor , Conservação de Alimentos , Humanos , Adulto Jovem
14.
J Forensic Sci ; 65(4): 1085-1093, 2020 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-32176825

RESUMO

Ammonium nitrate fuel oil is an explosive mixture found in most antipersonnel landmines (APL) buried throughout the Colombian territory. During more than 50 years of internal conflict, the Colombian government has found that trained dogs are the most effective method to detect APL. However, the olfactive signature in ANFO is unknown and also if there are differences in detection related to the explosive manufacturing origin. Therefore, this work begins with the analytical validation of the method used to determine ammonia, in its derivatized form as carbamate, released by home-made ANFO using HS-SPME-GC-FID. Once validated, the method was used to identify ammonia and other organic volatile compounds present in ANFO, under laboratory and simulated field conditions. The validation process includes the evaluation of the optimum conditions for the derivation and extraction of butylcarbamate, the determination of the working ranges with linear response in FID, the limits of detection and quantification, the sensitivity, and the precision. The results of the validation established linearity and sensitivity in a concentration between 20 and 120 mg/L, as well as low limits of detection and quantification of 6.4 and 21.4 mg/L, respectively. Also, an intermediate precision of 11% for butylcarbamate with a repeatability of 8%. The validated method showed in real samples of home-made ANFO besides ammonia, the presence of low molecular methylamines, and also exhibited differences in volatile compositions according to the origin. The objective of this work is to offer a reliable analytical methodology for the extraction and analysis of volatile compounds from ANFO.

15.
Chem Commun (Camb) ; 54(43): 5426-5429, 2018 May 24.
Artigo em Inglês | MEDLINE | ID: mdl-29745410

RESUMO

In diabetes, hyperamylinemia contributes to cardiac dysfunction. The interplay between hIAPP, blood glucose and other plasma components is, however, not understood. We show that glucose and LDL interact with hIAPP, resulting in ß-sheet rich oligomers with increased ß-cell toxicity and hemolytic activity, providing mechanistic insights for a direct link between diabetes and cardiovascular diseases.


Assuntos
Glicemia/metabolismo , Doenças Cardiovasculares/sangue , LDL-Colesterol/farmacologia , Diabetes Mellitus Tipo 2/sangue , Células Secretoras de Insulina/efeitos dos fármacos , Polipeptídeo Amiloide das Ilhotas Pancreáticas/farmacologia , Doenças Cardiovasculares/metabolismo , Doenças Cardiovasculares/patologia , LDL-Colesterol/sangue , Diabetes Mellitus Tipo 2/metabolismo , Diabetes Mellitus Tipo 2/patologia , Humanos , Células Secretoras de Insulina/metabolismo , Células Secretoras de Insulina/patologia , Polipeptídeo Amiloide das Ilhotas Pancreáticas/sangue
16.
Acta Crystallogr E Crystallogr Commun ; 73(Pt 6): 804-808, 2017 Jun 01.
Artigo em Inglês | MEDLINE | ID: mdl-28638631

RESUMO

In the title compounds, N-(5-acetyl-2-methyl-phen-yl)quinoline-2-carboxamide [C19H16N2O2, (I)], N-(5-acetyl-2-bromo-phen-yl)quinoline-2-carboxamide [C18H13BrN2O2, (II)] and N-(5-acetyl-2-ethynylphen-yl)quinoline-2-carboxamide [C20H14N2O2, (III)], the quinoline ring system is essentially planar and forms a dihedral angles of 3.68 (5) (I), 5.59 (7) (II) and 1.87 (6)° (III) with the acetyl-substituted ring. The mol-ecular structures of (I) and (III) each feature an intra-molecular N-H⋯N hydrogen bond, forming an S(5) ring, while in (II) an intra-molecular bifurcated N-H⋯(N,Br) hydrogen bond forms two S(5) rings. In the crystals, weak C-H⋯O hydrogen bonds link mol-ecules of (I) into C(7) chains long [010], mol-ecules of (II) into chains of R22(8) rings along [110] and mol-ecules of (III) into C(8) chains along [010]. In (I), there are no significant π-π stacking inter-actions under 4 Å, but in both (II) and (III), π-π inter-actions link the weak hydrogen-bonded chains into layers parallel to (001) [centroid-centroid disttances of 3.748 (1) Šin (II) and 3.577 (1), 3.784 (1) and 3.780 (1) Šin (III)].

17.
Acta Crystallogr E Crystallogr Commun ; 73(Pt 4): 602-605, 2017 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-28435730

RESUMO

In the title compound, C25H16N2O2, the quinoline ring system is essentially planar, with a maximum deviation of 0.030 (1) Å, and forms a dihedral angle of 20.9 (1)° with benzoyl benzene ring. The unsubstituted phenyl ring forms dihedral angles of 52.7 (1)° with the quinoline ring system and 54.1 (1)° with the ethynyl-substituted benzene ring. The mol-ecule contains an intra-molecular bifurcated N-H⋯(O,N) hydrogen bond, forming S(5) and S(6) rings, which may influence the conformation of the mol-ecule. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. In addition, the three-dimensional structure contains π-π stacking inter-actions, with centroid-centroid distances of 3.695 (1) and 3.751 (1) Å.

18.
Acta Crystallogr E Crystallogr Commun ; 73(Pt 9): 1287-1289, 2017 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-28932456

RESUMO

In the title compound, C10H9NO2S, all the non-H atoms, except for the ethyl fragment, lie nearly in the same plane. Despite the mol-ecular planarity, the ethyl fragment presents more than one conformation, giving rise to a discrete disorder, which was modelled with two different crystallographic sites for the eth-oxy O and eth-oxy α-C atoms, with occupancy values of 0.5. In the crystal, the three-dimensional array is mainly directed by C-H⋯(O,N) inter-actions, giving rise to inversion dimers with R22(10) and R22(14) motifs and infinite chains running along the [100] direction.

19.
J Am Soc Mass Spectrom ; 28(12): 2548-2560, 2017 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-28879637

RESUMO

Phenylenevinylene oligomers (PVs) have outstanding photophysical characteristics for applications in the growing field of organic electronics. Yet, PVs are also versatile molecules, the optical and physicochemical properties of which can be tuned by manipulation of their structure. We report the synthesis, photophysical, and MS characterization of eight PV derivatives with potential value as electron transfer (ET) matrices for UV-MALDI. UV-vis analysis show the presence of strong characteristic absorption bands in the UV region and molar absorptivities at 355 nm similar or higher than those of traditional proton (CHCA) and ET (DCTB) MALDI matrices. Most of the PVs exhibit non-radiative quantum yields (φ) above 0.5, indicating favorable thermal decay. Ionization potential values (IP) for PVs, calculated by the Electron Propagator Theory (EPT), range from 6.88 to 7.96 eV, making these oligomers good candidates as matrices for ET ionization. LDI analysis of PVs shows only the presence of radical cations (M+.) in positive ion mode and absence of clusters, adducts, or protonated species; in addition, M+. threshold energies for PVs are lower than for DCTB. We also tested the performance of four selected PVs as ET MALDI matrices for analytes ranging from porphyrins and phthalocyanines to polyaromatic compounds. Two of the four PVs show S/N enhancement of 1961% to 304% in comparison to LDI, and laser energy thresholds from 0.17 µJ to 0.47 µJ compared to 0.58 µJ for DCTB. The use of PV matrices also results in lower LODs (low fmol range) whereas LDI LODs range from pmol to nmol. Graphical Abstract ᅟ.

20.
Rev. colomb. quím. (Bogotá) ; 49(3): 47-57, sep.-dic. 2020. graf
Artigo em Espanhol | LILACS-Express | LILACS | ID: biblio-1149838

RESUMO

Resumen After an internal conflict that lasted over half a century, the detection and removal of antipersonnel landmines in Colombia have become cumbersome challenges. Antipersonnel landmines remain scattered in Colombia and with a considerable impact on the central-western region. Most of these devices are handmade (therefore, they can also be classified as improvised explosive devices) and composed of ammonium nitrate and fossil fuel blend, a mixture known as ANFO. Due to several unique factors, including concealment tactics and non-conventional manufacturing techniques employed by guerrilla fighters, the most efficient method for the detection of ANFO-based antipersonnel landmines is the use of trained canines. This review aims at describing the current chemical strategies used in the detection of ANFO-based antipersonnel landmines. First, a detailed description of the different techniques used in the detection of explosives is made. Then, all the strategies reported in the world for antipersonnel landmines detection are described. Finally, the importance of the use of canines for antipersonnel landmines detection is explained.


Abstract Después de un conflicto interno que duró más de medio siglo, la detección y eliminación de minas antipersonales en Colombia se han convertido en desafíos engorrosos. Las minas antipersonales siguen dispersas en la región centro-occidental de Colombia. La mayoría de estos dispositivos están hechos a mano (hecho que puede clasificarlos como artefactos explosivos improvisados, AEI) y están compuestos por una mezcla de nitrato de amonio y un combustible fósil, una mezcla conocida como ANFO. Debido a varios factores únicos, que incluyen tácticas de ocultación y técnicas de fabricación no convencionales empleadas por guerrilleros, el método más eficiente para la detección minas antipersonales basadas en ANFO es el uso de caninos entrenados. Esta revisión tiene como objetivo describir las estrategias químicas actuales utilizadas en la detección de minas antipersonales basadas en ANFO. En primer lugar, se hace una descripcion detallada de las diferentes técnicas utilizadas en la detección de explosivos; luego, se describen todas las estrategias reportadas en el mundo para la detección de minas antipersonales y, finalmente, se explica la importancia del uso de caninos para la detección de minas antipersonales.


Resumo Após um conflito interno que durou mais de meio século, a detecção e remoção de minas antipessoal na Colômbia se tornaram desafios complexos. As minas antipessoal continuam espalhadas na região centro-oeste da Colômbia. A maioria desses dispositivos é feita à mão (fato que pode classificá-los como dispositivos explosivos improvisados, DEI) e composta de uma mistura de nitrato de amônio e um combustível fóssil - uma mistura conhecida como ANFO. Devido a vários fatores únicos, incluindo táticas de ocultação e técnicas de fabricação não convencionais empregadas por guerrilheiros, o método mais eficiente para a detecção de minas antipessoal baseadas em ANFO é o uso de caninos treinados. Esta revisão visa descrever as estratégias químicas atuais usadas na detecção de minas antipessoal baseadas em ANFO. Primeiro, é feita uma descrição detalhada das diferentes técnicas utilizadas na detecção de explosivos; Em seguida, são descritas todas as estratégias relatadas no mundo para a detecção de minas antipessoal e, finalmente, é explicada a importância do uso de caninos para a detecção de minas antipessoal.

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