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1.
Exp Aging Res ; 50(2): 225-247, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38192191

RESUMO

Empathy, the ability to understand and respond to the experiences of others, is an important skill for maintaining good relationships throughout one's life. Previous research indicated that emotional empathy remained stable or even increased in older adults compared to younger adults, while cognitive empathy showed age-related deficits. Based on the selective engagement hypothesis, this deficit was not caused by a decline in cognitive functioning, but by a lack of willingness to judge the target person's emotions more precisely, that is, by a lack of interaction motivation. In order to provide more evidence on the causes of empathic aging in older adults, the current study investigated the influence of interaction motivation on empathy in older adults in an Eastern cultural context (China) based on the selective engagement hypothesis. This study used older adults and younger adults as subjects. Through two experiments, empathy was measured by the multiple empathy test (Experiment 1) and film tasks (Experiment 2); at the same time, use accountability instructions (Experiment 1), the age-related events (Experiment 2) to manipulate interaction motivation. The results showed that emotional empathy was significantly higher in older adults than in younger adults, regardless of whether interaction motivation was elicited. In terms of cognitive empathy, when there is no motivation, the cognitive empathy of older adults is significantly lower than that of younger adults. When the interaction motivation is stimulated, the cognitive empathy of older adults is no less than that of younger adults. This suggested that empathic aging in older adults was not a permanent decline in cognitive empathy, but rather a decline in interaction motivation, supporting the selective engagement hypothesis.


Assuntos
Empatia , Motivação , Humanos , Idoso , Envelhecimento , Emoções , Cognição
2.
Langmuir ; 38(7): 2248-2256, 2022 02 22.
Artigo em Inglês | MEDLINE | ID: mdl-35133849

RESUMO

A series of lipotripeptide stereoisomers based on alanine were synthesized, and their self-assembling behaviors were studied by means of circular dichroism spectra, ATR-IR, temperature-dependent 1H NMR, and X-ray diffraction patterns. In the mixed solvent of hexafluoroisopropanol/H2O (1/9, v/v), eight lipotripeptides were able to self-assembled into nanoflakes or nanoribbons driven by the hydrophobic association of alkyl chains, intermolecular hydrogen bonding among carboxyl groups at C-terminal and amide groups of alanine moieties in the peptide segment. It was found that the stacking chirality of carbonyl groups was determined by the chirality of alanine residue at C-terminal (i.e., "C-terminal determination" rule). Moreover, our research also highlighted the intermolecular hydrogen bonding on amide groups of each alanine residue, terminal carboxyl as well as the molecular packing structures can be subtly manipulated by changing the stereochemical sequence of peptide segment.


Assuntos
Alanina , Oligopeptídeos , Alanina/química , Dicroísmo Circular , Ligação de Hidrogênio , Oligopeptídeos/química , Peptídeos/química
3.
Int J Mol Sci ; 23(23)2022 Dec 05.
Artigo em Inglês | MEDLINE | ID: mdl-36499654

RESUMO

Osteopontin (OPN) isoforms, including OPNb and OPNc, promote malignancy and may contribute to the pathogenesis of endometriosis, a benign disorder with multiple characteristics resembling malignant tumors. In our experiments, OPNb and OPNc were significantly overexpressed in both endometriosis and adenomyosis compared to the normal endometrium. Upregulation of CD44v and the epithelial-mesenchymal transition (EMT) process was also present in endometriotic lesions. Overexpression of OPNb and OPNc splicing variants in endometriotic cells evoked morphological changes, actin remodeling, cell proliferation, cell migration, and EMT through binding OPN ligand receptors CD44 and αvß3, subsequently activating the PI3K and NF-ĸB pathways. We elucidated the causal role of OPN splice variants in regulating endometriotic cell growth, which may promote the development of OPN-targeted therapies for patients suffering from endometriotic disorders.


Assuntos
Endometriose , Transição Epitelial-Mesenquimal , Feminino , Humanos , Transição Epitelial-Mesenquimal/genética , Osteopontina/genética , Osteopontina/metabolismo , Isoformas de Proteínas/genética , Isoformas de Proteínas/metabolismo , Movimento Celular/genética , Endométrio/metabolismo , Proliferação de Células/genética , Endometriose/genética , Células Epiteliais/metabolismo
4.
Brain Cogn ; 154: 105803, 2021 11.
Artigo em Inglês | MEDLINE | ID: mdl-34689103

RESUMO

Previous studies have shown the brain synchronization of all team members while completing a collaborative task. Moreover, this effect is influenced by a team's compositional elements, such as gender (opposite or same) or relationships (i.e., friends, lovers, or strangers) among team members. However, whether interpersonal brain synchronization (IBS) is affected by team members' experience, as well as the temporal dynamics of such brain synchronization, remains to be investigated. In the current study, we combined behavioral methods and functional near-infrared spectroscopy-based hyperscanning to examine the effect of member experience on team cooperation by an adopted continuous joint drawing task with 21 student-student dyads (S-S dyads) and 22 teacher-student dyads (T-S dyads). The results revealed that team members with differing experiences (T-S dyads) perform better than those with similar ones (S-S dyads). Moreover, we observed IBS in the left frontopolar region (channel 11). However, we did not observe significant changes of the task-related IBS across time. Besides, IBS was negatively correlated with the participants' behavioral performance. Our findings demonstrate the importance of social experience in teamwork in the real world and suggest a possible mechanism for cooperation from a temporal and spatial perspective.


Assuntos
Mapeamento Encefálico , Relações Interpessoais , Encéfalo , Comportamento Cooperativo , Humanos , Espectroscopia de Luz Próxima ao Infravermelho
5.
Langmuir ; 35(35): 11406-11413, 2019 09 03.
Artigo em Inglês | MEDLINE | ID: mdl-31393728

RESUMO

A series of bola-type Ala-Ala dipeptides with different alkylene bridges (n = 10-15) were synthesized. In methanol, the molecules with even-numbered carbon bridges self-assembled into twisted nanoribbons, while those with odd-numbered carbon bridges self-assembled into straight belts. The morphology displays a pronounced odd-even dependence upon the number of carbons (n) in the connecting alkylene bridge. The circular dichroism spectra of the self-assemblies showed that molecules with even- and odd-numbered carbon bridges stacked in different structures. FT-IR spectra indicated that the dipeptides with even-numbered carbon bridges formed hydrogen bonds between the amide group and carboxyl ester group, while those with odd-numbered carbon bridges formed hydrogen bonds only between the amide groups. X-ray diffraction patterns revealed that molecules with odd- and even-numbered carbon bridges stacked in monoclinic and triclinic structures, respectively.

6.
Chirality ; 31(11): 992-1000, 2019 11.
Artigo em Inglês | MEDLINE | ID: mdl-31468590

RESUMO

Four Ala-Ala dipeptides with a perfluoroalkyl chain at the N-terminal were synthesized. They were able to self-assemble into helical nanofibers and/or twisted nanobelts in a mixture of DMSO/H2 O. The handedness of nanofibers and nanobelts was controlled by the chirality of the alanine at the N-terminal. The stacking handedness of the phenylene groups and the helicity of the perfluoroalkyl chain were studied using circular dichroism spectroscopy and vibrational circular dichroism, respectively. The chirality of the alanine at N-terminal controlled the stacking handedness of the neighboring phenylene groups. Moreover, due to the low potential barrier between M- and P-helices of the perfluorocarbon chain, the handedness of the organic self-assemblies eventually controlled the helicity of the perfluorocarbon chain. X-ray diffraction indicated that a lamellar structure was formed by the dimers of the dipeptides.


Assuntos
Dipeptídeos/química , Fluorocarbonos/química , Modelos Moleculares , Conformação Molecular , Estereoisomerismo
7.
Langmuir ; 33(33): 8246-8252, 2017 08 22.
Artigo em Inglês | MEDLINE | ID: mdl-28763619

RESUMO

Four Phe-Ala lipodipeptides with different stereochemical structures are observed to self-assemble into twisted nanoribbons in water. The handedness of the twisted nanoribbons is controlled by the chirality of the phenylalanine near the alkyl chain, while the stacking handedness of the phenyl and carbonyl groups is determined by the alanine at the C-terminal. The homochiral and heterochiral lipodipeptides self-assemble into parallel and antiparallel ß-sheet structures, respectively. The 1H NMR, FTIR, X-ray diffraction, and circular dichroism characterizations indicate that these phenomena are mainly driven by the interaction between neighboring phenyl groups and H-bonding among the amide groups.


Assuntos
Lipídeos/química , Alanina , Dicroísmo Circular , Dipeptídeos , Fenilalanina , Conformação Proteica em Folha beta , Estereoisomerismo
8.
Langmuir ; 33(41): 10951-10957, 2017 10 17.
Artigo em Inglês | MEDLINE | ID: mdl-28942645

RESUMO

In mixtures of water and dimethyl sulfoxide, 4'-(n-dodecyloxy)-1,1'-biphenyl-4-carbonyl Ala-Ala dipeptides can self-assemble into tubular structures that are formed by coiled nanoribbons. The twist and stacking handedness of biphenylene groups were studied using circular dichroism and confirmed by theoretical chemical calculations. The handedness of the coiled nanoribbons and the stacking handedness of biphenylene groups are controlled by the chirality of alanine at the C-terminus, whereas the twist handedness of biphenylene groups is determined by the chirality of alanine at the N-terminus. 1H NMR spectra indicated that the hydrogen bond formed by the N-H group of alanine at the N-terminus plays an important role in the formation of organic self-assemblies. On the basis of small-angle X-ray scattering characterization, a dimer structure was proposed to form through the terminal COOH groups.

9.
Langmuir ; 32(29): 7420-6, 2016 07 26.
Artigo em Inglês | MEDLINE | ID: mdl-27389603

RESUMO

Eight dipeptides, composed of phenylalanine and phenylglycine, that are able to self-assemble into twisted nanoribbons in deionized water are synthesized. The handedness of the nanoribbons is controlled by the chirality of the phenylalanine and the steric hindrance owing to the phenyl group of the phenylglycine. When the phenylalanine is at the C-terminal, π-π stacking by the phenyl groups, hydrogen bonding by the NH group of the phenylalanine, and hydrophobic associations of the alkyl chains control the stacking of the molecules. When phenylglycine is at the C-terminal, the chiral π-π stacking by the phenyl groups of the phenylalanines is suppressed. The hydrogen bonds formed by the NH groups of the phenylalanines had a greater contribution on forming organic self-assemblies than those formed by the NH groups of the phenylglycines.


Assuntos
Dipeptídeos/química , Glicina/análogos & derivados , Fenilalanina/química , Glicina/química , Estereoisomerismo
10.
Chirality ; 28(1): 44-8, 2016 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-26439091

RESUMO

Polybissilsesquioxanes with single-handed helical morphologies attracted much attention during the last decade, which could be applied as asymmetric catalysts and chiral stationary phases. Herein, a pair of chiral biphenylene-bridged bissilsesquioxanes were synthesized. They self-assembled into helical bundles in ethanol, behavior that was confirmed in field emission scanning electron microscopy images. Circular dichroism analysis indicated that the biphenylene groups twisted in a single-handed fashion. Single-handed helical polybissilsesquioxane bundles were prepared via polycondensation of the bissilsesquioxanes, using a self-templating approach. Because of the shrinkage that occurred during polycondensation, the helical pitches of the bundles were shorter than those of their corresponding organic self-assemblies. The wide-angle X-ray diffraction pattern indicated that there were no π-π interactions among the diphenylene groups. The circular dichroism spectra indicated that the chirality was successfully transferred from the bissilsesquioxane self-assemblies to the polybissilsesquioxane. The polybissilsesquioxanes displayed a capacity for the adsorption of nitrobenzene and had potential application for enantioseparation.

11.
Toxicol Appl Pharmacol ; 274(2): 249-62, 2014 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-24239652

RESUMO

Humic acid (HA) has been implicated as one of the etiological factors in the peripheral vasculopathy of blackfoot disease (BFD) in Taiwan. However, the underlying pathophysiological mechanisms of BFD are not well defined. In this study, we used an in vitro and in vivo model, in which HA (25-200µg/mL) activated macrophages to produce pro-inflammatory molecules by activating their transcriptional factors. HA exposure induced NO and PGE2 production followed by induction of iNOS and COX-2 through NF-κB/AP-1 transactivation in macrophages. In addition, the production of TNF-α and IL-1ß was significantly increased by HA. Moreover, HA-induced iNOS and COX-2 expression were down-regulated by the NF-κB and AP-1 inhibitors pyrrolidine dithiocarbamate (PDTC) and Tanshinone, respectively. Furthermore, generations of ROS and nitrotyrosine, as well as activation of the AKT and MAPKs signaling cascades were observed after HA exposure. Specifically, HA-induced NF-κB activation was mediated by ROS and AKT, and that HA-induced AP-1 activation was mediated by JNK and ERK. Notably, HA-mediated AKT, JNK, and ERK activation was ROS-independent. The inflammatory potential of HA was correlated with increased expression of HO-1 and Nrf2. Furthermore, an in vivo study confirms that mice exposed to HA, the serum levels of TNF-α and IL-1ß was significantly increased in a dose-dependent manner. This report marks the first confirmation that environmental exposure of HA induces inflammation in macrophages, which may be one of the main causes of early atherogenesis in blackfoot disease.


Assuntos
Aterosclerose/patologia , Água Potável/química , Substâncias Húmicas/efeitos adversos , Inflamação/induzido quimicamente , NF-kappa B/metabolismo , Espécies Reativas de Oxigênio/metabolismo , Fator de Transcrição AP-1/metabolismo , Acetilcisteína/farmacologia , Animais , Antioxidantes/farmacologia , Aterosclerose/etiologia , Linhagem Celular Tumoral , Sobrevivência Celular/efeitos dos fármacos , Ciclo-Oxigenase 2/genética , Ciclo-Oxigenase 2/metabolismo , Dinoprostona/sangue , Feminino , Regulação da Expressão Gênica , Heme Oxigenase-1/genética , Heme Oxigenase-1/metabolismo , Substâncias Húmicas/análise , Inflamação/patologia , Interleucina-1beta/metabolismo , Proteínas de Membrana/genética , Proteínas de Membrana/metabolismo , Camundongos , Fator 2 Relacionado a NF-E2/genética , Fator 2 Relacionado a NF-E2/metabolismo , NF-kappa B/genética , Óxido Nítrico/sangue , Óxido Nítrico Sintase Tipo II/genética , Óxido Nítrico Sintase Tipo II/metabolismo , Estresse Oxidativo/efeitos dos fármacos , Ratos , Transdução de Sinais , Taiwan , Fator de Transcrição AP-1/genética , Fator de Necrose Tumoral alfa/metabolismo
12.
Langmuir ; 29(31): 9721-6, 2013 Aug 06.
Artigo em Inglês | MEDLINE | ID: mdl-23915244

RESUMO

The relationship between amino acid sequences and their resulting nanostructure has been well studied, but that between amino acid chirality and nanostructure handedness has not. Four dipeptide sodium salts with long alkyl chains derived from L- and D-alanines were synthesized. The behavior of their self-assembly into physical gels in water and THF was studied using field-emission scanning electron microscopy, circular dichroism (CD), FT-IR spectroscopy, (1)H NMR spectroscopy, and X-ray diffraction. The dipeptide salts organized into twisted nanoribbons, whose handedness was controlled by the terminal alanine chirality. The handedness of nanoribbons formed in water was opposite to that of those formed in THF. The dipeptide salts self-assembled into similar interdigitated bilayer structures in water and THF, but CD spectra of the gels indicated that the stacking of carbonyl groups was opposite. The formation of this handedness inversion is proposed to arise from the difference in interlayer distance and chiral stacking of carbonyl groups near the C-terminals.


Assuntos
Alanina/química , Dipeptídeos/química , Sódio/química , Alanina/análogos & derivados , Conformação Molecular , Tamanho da Partícula , Sais/química , Solventes/química , Propriedades de Superfície
13.
Psychol Res Behav Manag ; 16: 1343-1354, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37114247

RESUMO

Background: As the role of emotional intelligence has been increasingly explored, researchers generally agree that emotional intelligence is a better predictor of individual success. And fortunately, emotional intelligence is somewhat easily shaped. Schools are important microsites for the shaping of an individual's emotional intelligence. Good teacher-student relationship contribute to the shaping and development of students' emotional intelligence. Objective: Based on the theory of developmental contextualism, the current study aims to identify the relationship between good teacher-student relationship and students' emotional intelligence, and the mediating roles of students' openness and emotional intelligence. Methods: In this study, a total of 352 adolescents (11-15 years old) from two schools were surveyed using the teacher-student relationship scale, big five inventory openness subscale, and emotional intelligence scale. Results: Teacher-student relationship were positively correlated with students' openness, empathy, and emotional intelligence. Teacher-student relationship positively predicted students' emotional intelligence; students' openness and empathy played a fully mediating role in teacher-student relationship and emotional intelligence. Conclusion: The closeness and supportiveness of the teacher-student relationship were positively related to students' openness, empathy, and emotional intelligence were positively correlated.

14.
Front Nutr ; 9: 1052901, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-36438764

RESUMO

In this study, we explored the effect of acid hydrolysis on the molecular, structural, rheological, thermal, and antioxidant characteristics of Qingke ß-glucan. The acid hydrolysis reduced the molecular weights of ß-glucans from 510 to 155 KDa. The results of the structural analysis by nuclear magnetic resonance (NMR) spectroscopy, X-ray diffraction, and fourier transforms infrared (FTIR) spectroscopy indicated that acid hydrolysis did not change the primary functional groups of ß-glucans. The rheological behavior of ß-glucan without and with acid hydrolysis can be described as pseudoplastic and Newtonian, respectively. The DSC curves of the ß-glucans with high molecular weights showed the highest transition temperature. The 2, 2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical cation scavenging activity and the reducing power of soluble ß-glucans in Qingke showed a dose-dependent pattern. Meanwhile, the antioxidant activities of Qingke ß-glucan of different molecular weights were similar. This study demostrated that the acid hydrolysis almost have no effect on antioxidant activity of Qingke ß-glucans.

15.
Artigo em Inglês | MEDLINE | ID: mdl-35897383

RESUMO

(1) Purpose: Previous studies investigated the positive relationship between professional identity and career satisfaction in teachers, but the underlying reasons were not explored. Therefore, the present study explores the mediating effects of two variables, namely, psychological empowerment and work engagement on the relationship between professional identity and career satisfaction. (2) Method: The present study used the professional identity scale, psychological empowerment scale, Utrecht Work Engagement scale and career satisfaction scale to investigate 2104 teachers (Mage = 39.50 years, SD = 8.74) in a province in China. The demographic variables (e.g., gender, age, teaching age) were controlled as covariates to conduct conservative predictions. (3) Result: (a) professional identity is positively related to career satisfaction; (b) psychological empowerment and career satisfaction play parallel mediator roles between professional identity and career satisfaction; (c) psychological empowerment and career satisfaction play serial mediator roles between professional identity and career satisfaction. (4) Limitations: Data were collected by participant self-report. This method may lead to recall bias. Further, we adopted a cross-sectional rather than experimental or longitudinal design, thus precluding causal conclusions. Lastly, it would be useful to validate our findings with a national sample. (5) Conclusions: The present study indicates that the relationship between professional identity is positively associated with teacher career satisfaction. More importantly, professional identity can indirectly make an impact on teacher career satisfaction through the single mediating effects of psychological empowerment and work engagement, and the chain mediating effect, by improving the level of psychological empowerment, and thereby increasing work engagement.


Assuntos
Satisfação no Emprego , Engajamento no Trabalho , Estudos Transversais , Humanos , Poder Psicológico , Identificação Social , Inquéritos e Questionários
16.
Gerontol Geriatr Med ; 8: 23337214221077788, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-35356303

RESUMO

The human body has tremendous self-healing capacity and regeneration after injuries and pathogen invasions. These factors are particularly important in older adults which take longer to heal and recover physically. In addition to clinical investigations, perspectives from both experts in the field and the living experiences of the general public could play significant roles to enhance the body's healing mechanisms in older adults. A semi-structured interview was conducted which included 15 participants (9 experts and 6 older adults aged 65 years and older). Content analysis with an inductive approach was employed about participants' experiences and perspectives. All participants in this study revealed that self-healing mechanisms can be enhanced through physiological, psychological, and socio-environmental factors. When more of these factors can be integrated into a recovery management plan, it can hasten self-healing in older adults. Social capability has a profound impact on an individual's mental health while oral health and hygiene significantly affect the nutritional intake status. In regards to physical aspects, regular daily activity patterns, nutritious eating, moderate exercise, and sleep quality are significant, while psychological aspects such as cheerfulness, positive attitudes, and good interpersonal relationships can help control chronic diseases.

17.
Healthcare (Basel) ; 9(4)2021 Apr 20.
Artigo em Inglês | MEDLINE | ID: mdl-33924124

RESUMO

Self-healing, an intrinsic healing capacity, helps individuals' bodies and minds to regain wholeness and is significant in the pursuit of one's own healthy ageing and independence. This study was intended to develop and preliminarily test the reliability and validity of the self-healing assessment scale (SHAS) for community-dwelling older adults, and was conducted in three phases. Phase 1: The definitions of self-healing were synthesized from our knowledge of the literature regarding the ontology of self-healing and panels of 25 experts. The initial version of the 12-item questionnaire was developed by the in-depth interviews of focus groups and panels, and the content was validated by six experts. Phase 2: A cross-sectional survey, including a total of 500 community-dwelling older adults with a mean age of 71.76, was then conducted for the preliminary reliability and validity test. The content validity indices were satisfied. Twelve items were retained, and three factors were identified, namely, physical and mental state, socioeconomic and environmental status, and independent lifestyle, which explained 65.8% of the variance under explorative approval. Phase 3: the standardized factor above 60 obtained by confirmatory factorial analysis indicated good convergent validity. The relationship between self-healing and health-related quality of life was confirmed via concurrent validity testing. The SHAS can facilitate the evaluation of factors associated with community-dwelling older adults' self-healing capacity. Programs tailored to enhance self-healing capacity should be designed, implemented, and inspected regarding their effectiveness in older adults.

18.
Sci Rep ; 11(1): 18583, 2021 09 20.
Artigo em Inglês | MEDLINE | ID: mdl-34545174

RESUMO

Synaptosomes are subcellular fractions prepared from brain tissues that are enriched in synaptic terminals, widely used for the study of neural transmission and synaptic dysfunction. Immunofluorescence imaging is increasingly applied to synaptosomes to investigate protein localization. However, conventional methods for imaging synaptosomes over glass coverslips suffer from formaldehyde-induced aggregation. Here, we developed a facile strategy to capture and image synaptosomes without aggregation artefacts. First, ethylene glycol bis(succinimidyl succinate) (EGS) is chosen as the chemical fixative to replace formaldehyde. EGS/glycine treatment makes the zeta potential of synaptosomes more negative. Second, we modified glass coverslips with 3-aminopropyltriethoxysilane (APTES) to impart positive charges. EGS-fixed synaptosomes spontaneously attach to modified glasses via electrostatic attraction while maintaining good dispersion. Individual synaptic terminals are imaged by conventional fluorescence microscopy or by super-resolution techniques such as direct stochastic optical reconstruction microscopy (dSTORM). We examined tau protein by two-color and three-color dSTORM to understand its spatial distribution within mouse cortical synapses, observing tau colocalization with synaptic vesicles as well postsynaptic densities.


Assuntos
Microscopia de Fluorescência/métodos , Sinaptossomos/metabolismo , Proteínas tau/metabolismo , Animais , Camundongos , Densidade Pós-Sináptica/metabolismo , Eletricidade Estática , Sinapses/metabolismo , Sinaptofisina/metabolismo
19.
J Agric Food Chem ; 69(44): 13200-13216, 2021 Nov 10.
Artigo em Inglês | MEDLINE | ID: mdl-34709825

RESUMO

Nontarget data acquisition for target analysis (nDATA) workflows using liquid chromatography-high-resolution accurate mass (LC-HRAM) spectrometry, spectral screening software, and a compound database have generated interest because of their potential for screening of pesticides in foods. However, these procedures and particularly the instrument processing software need to be thoroughly evaluated before implementation in routine analysis. In this work, 25 laboratories participated in a collaborative study to evaluate an nDATA workflow on high moisture produce (apple, banana, broccoli, carrot, grape, lettuce, orange, potato, strawberry, and tomato). Samples were extracted in each laboratory by quick, easy, cheap, effective, rugged, and safe (QuEChERS), and data were acquired by ultrahigh-performance liquid chromatography (UHPLC) coupled to a high-resolution quadrupole Orbitrap (QOrbitrap) or quadrupole time-of-flight (QTOF) mass spectrometer operating in full-scan mass spectrometry (MS) data-independent tandem mass spectrometry (LC-FS MS/DIA MS/MS) acquisition mode. The nDATA workflow was evaluated using a restricted compound database with 51 pesticides and vendor processing software. Pesticide identifications were determined by retention time (tR, ±0.5 min relative to the reference retention times used in the compound database) and mass errors (δM) of the precursor (RTP, δM ≤ ±5 ppm) and product ions (RTPI, δM ≤ ±10 ppm). The elution profiles of all 51 pesticides were within ±0.5 min among 24 of the participating laboratories. Successful screening was determined by false positive and false negative rates of <5% in unfortified (pesticide-free) and fortified (10 and 100 µg/kg) produce matrices. Pesticide responses were dependent on the pesticide, matrix, and instrument. The false negative rates were 0.7 and 0.1% at 10 and 100 µg/kg, respectively, and the false positive rate was 1.1% from results of the participating LC-HRAM platforms. Further evaluation was achieved by providing produce samples spiked with pesticides at concentrations blinded to the laboratories. Twenty-two of the 25 laboratories were successful in identifying all fortified pesticides (0-7 pesticides ranging from 5 to 50 µg/kg) for each produce sample (99.7% detection rate). These studies provide convincing evidence that the nDATA comprehensive approach broadens the screening capabilities of pesticide analyses and provide a platform with the potential to be easily extended to a larger number of other chemical residues and contaminants in foods.


Assuntos
Resíduos de Praguicidas , Praguicidas , Cromatografia Líquida de Alta Pressão , Cromatografia Líquida , Contaminação de Alimentos/análise , Frutas/química , Resíduos de Praguicidas/análise , Praguicidas/análise , Espectrometria de Massas em Tandem , Verduras , Fluxo de Trabalho
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