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1.
Chem Sci ; 15(30): 12006-12016, 2024 Jul 31.
Artigo em Inglês | MEDLINE | ID: mdl-39092099

RESUMO

We describe the synthesis, solid state and electronic structures of a series of tunable five-membered cationic and charge-neutral inorganic heterocycles featuring a P3CN core. 1-Aza-2,3,4-triphospholenium cations [(PR)3N(H)CR']+, [1R]+ (R' = Me, Ph, 4-MeOC6H4, 4-CF3C6H4) were formed as triflate salts by the formal [3 + 2]-cyclisation reactions of strained cyclic triphosphanes (PR)3 (R = t Bu, 2,4,6-Me3C6H2 (Mes), 2,6- i Pr2C6H3 (Dipp), 2,4,6- i Pr3C6H2 (Tipp)) with nitriles R'CN in the presence of triflic acid. The corresponding neutral free bases (PR)3NCR' (2R) were readily obtained by subsequent deprotonation with NEt3. The P3CN cores in 2R show an envelope conformation typical for cyclopentenes and present as yellow to orange compounds in the solid state as well as in solution depending on both substituents R and R' in (PR)3NCR'. The P3CN cores in [1R]+ show a significant deviation from planarity with increasing steric bulk of the R groups at phosphorus, which results in a decrease in the HOMO-LUMO gap and distinct low-energy UV-Visible absorption bands. This allows access to colours spanning red, blue, indigo, and magenta. TD-DFT calculations provide valuable insight into this phenomenon and indicate an intramolecular charge-transfer from the HOMO located on the P3 framework to the N[double bond, length as m-dash]C-R'-based LUMO in the cationic species. The cations [1R]+ represent rare examples of phosphorus-rich heterocycles with tunable colour, which can be incorporated into polymers by post-polymerization modification to afford coloured polymers, which demonstrate utility as both proton and ammonia sensors.

2.
J Am Chem Soc ; 146(9): 6326-6335, 2024 Mar 06.
Artigo em Inglês | MEDLINE | ID: mdl-38408316

RESUMO

Herein, we report the synthesis of carbene-stabilized 1,3-diaza-2,4-diphosphabutenes CAACMePNPNCAACMe 4CAAC (CAACMe = 1-[2,6-bis(isopropyl)phenyl]-3,3,5,5-tetramethyl-2-pyrrolidinylidene) and IPrPNPNIPr 4NHC (IPr = 1,3-Bis(2,6-diisopropylphenyl)-imidazol-2-ylidene). The bonding in both systems is defined by a delocalized polar covalent π-system, with 4NHC exhibiting increased conjugation relative to 4CAAC. The nature of the stabilizing carbene also influences the redox properties of the compound, with 4CAAC undergoing potassium-mediated reduction to the closed-shell P-P bonded dimer K252, which upon treatment with Kryptofix-2,2,2 converts to the transient radical anion [Kcrypt][5], the formal one-electron reduction product of 4CAAC. In contrast, 4NHC undergoes reversible one-electron oxidation to the stable radical cation [6NHC][SbF6]. Computational and spectroscopic analyses of both radical species are suggestive of unevenly delocalized spin, with the bulk of the spin density residing on phosphorus in both cases.

3.
Eur J Mass Spectrom (Chichester) ; 30(1): 65-75, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-38258392

RESUMO

Tubulin-associated unit (tau) has an important role in the pathogenesis and the diagnosis of Alzheimer's disease (AD) and other tauopathies. In view of the diversity of tau proteoforms, antibody-free methods represent a good approach for unbiased quantification. We adapted and evaluated the single-pot, solid-phase-enhanced sample-preparation (SP3) protocol for antibody-free extraction of the tau protein in cerebro-spinal fluid (CSF) mimic and in human brain. A total of 13 non-modified peptides were quantified by high-resolution mass spectrometry (HRMS) after digestion of tau by trypsin. We significantly improved the basic SP3 protocol by carefully optimizing the organic solvents and incubation time for tau binding, as well as the digestion step for the release directly from the SP3 beads of the 13 tau peptides. These optimizations proved to be primarily beneficial for the most hydrophilic tau peptides, increasing the sequence coverage of recombinant tau. Mean recovery in CSF mimic of the 13 non-modified peptides was of 53%, with LODs ranging from 0.75 to 10 ng/mL. Next, we tested the optimized SP3 protocol on pathological tau extracted from the soluble fraction from an AD brain sample (middle frontal gyrus). We could successfully identify and quantify biologically relevant tau peptides including representative peptides of two isoforms and two phospho-peptides (pTau217 and pTau181).


Assuntos
Doença de Alzheimer , Tubulina (Proteína) , Humanos , Encéfalo , Anticorpos , Espectrometria de Massas , Peptídeos
4.
BMC Geriatr ; 23(1): 431, 2023 07 12.
Artigo em Inglês | MEDLINE | ID: mdl-37438723

RESUMO

BACKGROUND: Group model building (GMB), is a qualitative focus group like study design from the field of system dynamics, that leads a group of topic experts (often key stakeholders of a problem), through a set of scripted activities to create a conceptual model of their shared view on this problems' key contributing factors and their interactions. By offering a specific step wise approach to the complexity of a problem, GMB has provided better understanding and overview of complex problems across different scientific domains, in addition to traditional research methods. As the development of geriatric syndromes and organization of geriatric care are often complex issues that are difficult to research, understand and resolve, GMB might be a useful methodology to better address these issues. This study aimed to describe the methodology of online GMB using a geriatric case study. METHODS: Four online GMB sessions were designed by two clinician researchers. A GMB methodology expert was consulted for optimal design. Scriptapedia scripts formed the core of the sessions. These scripts were adapted to the online format. Experts were recruited purposefully and included seven local health care professionals, one patient representative and one healthcare insurance data analyst. The outcome was a conceptual model of older adults' emergency department visits, which was discussed in a separate article. RESULTS: During implementation of these four sessions, the sessions were adjusted and two extra (non-scripted) sessions were added because defining unambiguous contributing factors to the geriatric case was challenging for the experts. Paraphrasing, categorizing, iterative plenary reflection, and reserving extra time were used to help experts overcome this challenge. All sessions were held in April and May 2021. CONCLUSION: This study shows that GMB can help unravel complex problems in geriatrics, both pathophysiological as organizational, by creating step wise overview of their key contributing factors and interactions. Furthermore, it shows that GMB can be used by clinicians, researchers and health policy makers to better understand complex geriatric problems. Moreover, this paper can help to overcome specific implementational challenges in the geriatric field.


Assuntos
Serviço Hospitalar de Emergência , Geriatria , Humanos , Idoso , Grupos Focais , Instalações de Saúde , Pessoal de Saúde
5.
ACS Macro Lett ; 12(5): 646-652, 2023 May 16.
Artigo em Inglês | MEDLINE | ID: mdl-37130270

RESUMO

Molecular thin films are currently being investigated as candidate materials to replace conventional atomistic inorganic crystal-based Faraday rotators. High symmetry paramagnetic species have been reported to exhibit large Verdet constants via magnetic field splitting of degenerate ground states. However, lower symmetry open-shell species have not been extensively studied. Herein, we report the Faraday rotation of two poly di-tert-butylferroceniums with diphenylsilane and vinylene linkers. Thin films of oxidized poly[(1,1'-di-tert-butylferrocenyl)diphenylsilane] [poly(tBu2fc-SiPh2)] displayed a 30% increase in maximum Verdet constant relative to the previously reported decamethylferrocenium/PMMA composite, with Verdet constants of -4.52 × 104 deg T-1 m-1 at 730 nm and 4.46 × 104 deg T-1 m-1 at 580 nm. When a sp2-type linker was used, as with the oxidized poly(1,1'-di-tert-butyl-ferrocenylene)vinylene [poly(tBu2fc-C═C)], negligible Faraday rotation was observed. Hence, Faraday rotation can be maintained when molecular symmetry is broken, however orbital symmetry breaking in optical transitions of interest leads to a significant loss in magneto-optical activity.

6.
J Am Chem Soc ; 145(16): 9223-9232, 2023 Apr 26.
Artigo em Inglês | MEDLINE | ID: mdl-37067405

RESUMO

Herein, we report the synthesis of an acyclic carbene-stabilized diphospha(aminyl) PNP radical CAACMePNPCAACMe 4 (CAACMe = 1-[2,6-bis(isopropyl)phenyl]-3,3,5,5-tetramethyl-2-pyrrolidinylidene) by a facile one-pot, seven-electron reduction of hexachlorophosphazene chloride [Cl3PNPCl3][Cl]. The PNP radical 4 features a conjugated framework with spin density primarily localized on the central nitrogen atom as well as the flanking carbenes. Unlike other tripnictogen radicals, 4 undergoes facile one-electron oxidation and reduction to yield nonclassical nitrenium and amide species [5]+ and [6]-, respectively. The cation [5]+ exhibits conformational flexibility in the solution state between the expected W-shaped geometry [5b]+ and a previously unobserved linear heteroallene-type structure [5a]+, which was characterized in the solid state. The equilibrium was explored both computationally and experimentally, showing that [5a]+ is favored over [5b]+ both enthalpically (ΔH = -2.9 × 103 ± 80 J mol-1) and entropically (ΔS = 4.2 ± 0.25 J mol-1 K-1). The formal amide [6]- displays remarkable flexibility in its coordination chemistry due to the presence of multiple Lewis basic centers, as evidenced by the structure of its potassium complex K262, which exhibits µ, κ-P, κ-P, and η3-PNP coordination modes. Protonation of [6]- leads to the formation of an amine 7, which features a trigonal planar geometry around nitrogen.

7.
J Am Chem Soc ; 145(13): 7107-7112, 2023 Apr 05.
Artigo em Inglês | MEDLINE | ID: mdl-36961302

RESUMO

We report the synthesis of the monomeric phosphaborene Ar*P═B(TMP) (2) (Ar* = 2,6-bis(triisopropylphenyl)-3,5-diisopropylphenyl) containing 2-coordinate phosphorus and boron centers. Compound 2 has a PB bond length of 1.741(3) Å, the shortest reported to date. Computational examination of the bonding in 2 reveals, in addition to the σ bond, the presence of a single classical π bond and a large Wiberg bond index of 1.9707, consistent with double bond, and not triple bond, character. The chemistry of 2 is marked by its low reactivity, which is rationalized by examination of the frontier molecular orbitals and steric considerations.

8.
J Breath Res ; 17(2)2023 02 16.
Artigo em Inglês | MEDLINE | ID: mdl-36749983

RESUMO

Early, rapid and non-invasive diagnosis of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection is needed for the prevention and control of coronavirus disease 2019 (COVID-19). COVID-19 mainly affects the respiratory tract and lungs. Therefore, analysis of exhaled breath could be an alternative scalable method for reliable SARS-CoV-2 screening. In the current study, an experimental protocol using an electronic-nose ('e-nose') for attempting to identify a specific respiratory imprint in COVID-19 patients was optimized. Thus the analytical performances of the Cyranose®, a commercial e-nose device, were characterized under various controlled conditions. In addition, the effect of various experimental conditions on its sensor array response was assessed, including relative humidity, sampling time and flow rate, aiming to select the optimal parameters. A statistical data analysis was applied to e-nose sensor response using common statistical analysis algorithms in an attempt to demonstrate the possibility to detect the presence of low concentrations of spiked acetone and nonanal in the breath samples of a healthy volunteer. Cyranose®reveals a possible detection of low concentrations of these two compounds, in particular of 25 ppm nonanal, a possible marker of SARS-CoV-2 in the breath.


Assuntos
COVID-19 , Compostos Orgânicos Voláteis , Humanos , SARS-CoV-2 , Testes Respiratórios/métodos , Nariz Eletrônico , Biomarcadores/análise , Compostos Orgânicos Voláteis/análise
9.
Chemistry ; 29(2): e202202897, 2023 Jan 09.
Artigo em Inglês | MEDLINE | ID: mdl-36196020

RESUMO

Stoichiometric reaction of phosphine-borane adducts RR'PH⋅BH3 (R=Ph, R'=H, Ph, Et, and R=R'=t Bu) with the strong acid HNTf2 (Tf=SO2 CF3 ) leads to H2 elimination and the formation of the triflimido derivatives, RR'PH⋅BH2 (NTf2 ). Subsequent deprotonation by using bases, such as diisopropylethylamine or the carbene IPr (IPr=N,N'-bis(2,6-diisopropylphenyl)imidazol-2-ylidene), led to the formation of P-mono- or -disubstituted polyphosphinoboranes [RR'P-BH2 ]n . Evidence for the intermediacy of transient phosphinoborane monomers, RR'PBH2 , was provided by trapping reactions.

10.
J Am Chem Soc ; 144(50): 23179-23190, 2022 12 21.
Artigo em Inglês | MEDLINE | ID: mdl-36484741

RESUMO

The reactions of the N-heterocyclic carbenes (NHCs) IDipp and ItBu and the cyclic(alkyl)amino carbene (CAAC) CAACMe with polyaminoborane [MeNH-BH2]n were investigated. Stoichiometric quantities of each carbene were found to cause rapid and complete depolymerization, with the major B-N-containing product identified as the NHC-aminoborane adduct, IDipp-BH2NMeH (1), cyclic borazane [MeNH-BH2]3, or borazine [MeNBH]3 with IDipp, ItBu, and CAACMe, respectively. With substoichiometric quantities of IDipp and ItBu (down to 10 and 2.5 mol %, respectively), complete loss of high molar mass material was also detected, indicating that the depolymerization is catalytic. The main products of the reaction with substoichiometric IDipp were IDipp-BH2NMeH (1) and [MeNH-BH2]3 and with substoichiometric ItBu, [MeNH-BH2]3, and [MeNBH]3 with product ratios dependent on the quantity of NHC used. Under analogous conditions with CAACMe, high molar mass material persisted alongside the formation of [MeNBH]3. Further reactivity studies with cyclic borazane [MeNH-BH2]3 and MeNH2·BH3 provided insights into depolymerization pathways. IDipp showed no reactivity toward [MeNH-BH2]3, whereas with 3 equiv of ItBu and CAACMe, the dehydrogenation product [MeNBH]3, was formed. With MeNH2·BH3, 2 equiv of carbene were used as the first acts to accept dihydrogen; the major products with IDipp, ItBu, and CAACMe were IDipp-BH2NMeH (1), [MeNBH]3, and (CAACMeH)HB═NMeH (2), respectively. The double E-H (E = B, N) bond activation product (CAACMeH)HB═NMe(HCAACMe) (3) was isolated from the reaction between 3 equiv of CAACMe and MeNH2·BH3. A unified mechanism for donor-mediated depolymerization of [MeHN-BH2]n is proposed.


Assuntos
Hidrogênio , Metano , Temperatura , Catálise
11.
Brain Sci ; 12(9)2022 Sep 08.
Artigo em Inglês | MEDLINE | ID: mdl-36138950

RESUMO

The heterogeneous and multi-factorial nature of dementia requires the consideration of all health aspects when predicting the risk of its development and planning strategies for its prevention. This systematic review of reviews provides a comprehensive synthesis of those factors associated with cognition in the context of dementia, identifying the role of social aspects and evidencing knowledge gaps in this area of research. Systematic reviews and meta-analyses from 2009-2021 were searched for within Medline, PsycINFO, CINAHL Complete, Cochrane, and Epistemonikos. Reviewers independently screened, reviewed, and assessed the records, following the PRISMA-2020 guidelines. From 314 included studies, 624 cognitive-related factors were identified, most of them risk factors (61.2%), mainly belonging to the group of 'somatic comorbidities' (cardiovascular disease and diabetes) and 'genetic predispositions'. The protective factors (20%) were mainly related to lifestyle, pointing to the Mediterranean diet, regular physical activity, and cognitively stimulating activities. Social factors constituted 9.6% of all identified factors. Research on biological and medical factors dominates the reviewed literature. Greater social support and frequent contact may confer some protection against cognitive decline and dementia by delaying its onset or reducing the overall risk; however, overall, our findings are inconsistent. Further research is needed in the fields of lifestyle, psychology, social health, and the protective factors against cognitive decline and dementia.

12.
Transfus Med ; 32(5): 366-374, 2022 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-35668008

RESUMO

BACKGROUND AND OBJECTIVES: Current genotyping techniques allow typing of all relevant red cell, human leukocyte and platelet antigens in a single analysis. Even genetic markers related to donor health can be added. Implementation of this technology will affect various stakeholders within the transfusion chain. This study aims to systematically map the anticipated advantages and disadvantages of a national rollout of blood group genotyping of donors, which will affect the availability of rare donors and the implementation of an extensively typed blood transfusion policy. MATERIALS AND METHODS: Two focus-group sessions were held with a wide representation of stakeholders, including representatives of donor and patient organisations. A dedicated software tool was used to collect the reflections of participants on genotyping for blood group antigens and extensive matching. Additionally, stakeholders and experts discussed various prepared propositions. All information collected was categorised. RESULTS: From 162 statements collected, 59 statements (36%) were labelled as 'hopes' and 77 (48%) as 'fears'. Twenty-six (16%) statements remained unlabelled. The statements were divided in 18 categories under seven main themes: patient health, genotyping, privacy issues and ethical aspects, donor management, inventory management and logistics, hospital and transfusion laboratory and general aspects. The discussion on the propositions was analysed and summarised. CONCLUSION: Stakeholders believe that a genotyped donor pool can result in a reduction of alloimmunization and higher availability of typed blood products. There are concerns regarding logistics, costs, consent for extended typing, data sharing, privacy issues and donor management. These concerns need to be carefully addressed before further implementation.


Assuntos
Antígenos de Grupos Sanguíneos , Doadores de Sangue , Antígenos de Grupos Sanguíneos/genética , Tipagem e Reações Cruzadas Sanguíneas , Grupos Focais , Marcadores Genéticos , Genótipo , Humanos
13.
Gigascience ; 112022 05 26.
Artigo em Inglês | MEDLINE | ID: mdl-35639882

RESUMO

BACKGROUND: Animal pollination is an important ecosystem function and service, ensuring both the integrity of natural systems and human well-being. Although many knowledge shortfalls remain, some high-quality data sets on biological interactions are now available. The development and adoption of standards for biodiversity data and metadata has promoted great advances in biological data sharing and aggregation, supporting large-scale studies and science-based public policies. However, these standards are currently not suitable to fully support interaction data sharing. RESULTS: Here we present a vocabulary of terms and a data model for sharing plant-pollinator interactions data based on the Darwin Core standard. The vocabulary introduces 48 new terms targeting several aspects of plant-pollinator interactions and can be used to capture information from different approaches and scales. Additionally, we provide solutions for data serialization using RDF, XML, and DwC-Archives and recommendations of existing controlled vocabularies for some of the terms. Our contribution supports open access to standardized data on plant-pollinator interactions. CONCLUSIONS: The adoption of the vocabulary would facilitate data sharing to support studies ranging from the spatial and temporal distribution of interactions to the taxonomic, phenological, functional, and phylogenetic aspects of plant-pollinator interactions. We expect to fill data and knowledge gaps, thus further enabling scientific research on the ecology and evolution of plant-pollinator communities, biodiversity conservation, ecosystem services, and the development of public policies. The proposed data model is flexible and can be adapted for sharing other types of interactions data by developing discipline-specific vocabularies of terms.


Assuntos
Ecossistema , Polinização , Animais , Biodiversidade , Filogenia , Padrões de Referência
14.
PLoS Negl Trop Dis ; 16(1): e0009798, 2022 01.
Artigo em Inglês | MEDLINE | ID: mdl-35100277

RESUMO

BACKGROUND: Regular and comprehensive epidemiological surveys of the filarial nematodes Mansonella perstans and Loa loa in children, adolescents and adults living across Bioko Island, Equatorial Guinea are lacking. We aimed to demonstrate that blood retained on malaria rapid diagnostic tests, commonly deployed for malaria surveys, could be used as a source of nucleic acids for molecular based detection of M. perstans and L. loa. We wanted to determine the positivity rate and distribution of filarial nematodes across different age groups and geographical areas as well as to understand level of co-infections with malaria in an asymptomatic population. METHODOLOGY: M. perstans, L. loa and Plasmodium spp. parasites were monitored by qPCR in a cross-sectional study using DNA extracted from a subset malaria rapid diagnostic tests (mRDTs) collected during the annual malaria indicator survey conducted on Bioko Island in 2018. PRINCIPAL FINDINGS: We identified DNA specific for the two filarial nematodes investigated among 8.2% (263) of the 3214 RDTs screened. Positivity rates of M. perstans and L. loa were 6.6% and 1.5%, respectively. M. perstans infection were more prominent in male (10.5%) compared to female (3.9%) survey participants. M. perstans parasite density and positivity rate was higher among older people and the population living in rural areas. The socio-economic status of participants strongly influenced the infection rate with people belonging to the lowest socio-economic quintile more than 3 and 5 times more likely to be L. loa and M. perstans infected, respectively. No increased risk of being co-infected with Plasmodium spp. parasites was observed among the different age groups. CONCLUSIONS/SIGNIFICANCE: We found otherwise asymptomatic individuals were infected with M. perstans and L. loa. Our study demonstrates that employing mRDTs probed with blood for malaria testing represents a promising, future tool to preserve and ship NAs at room temperature to laboratories for molecular, high-throughput diagnosis and genotyping of blood-dwelling nematode filarial infections. Using this approach, asymptomatic populations can be reached and surveyed for infectious diseases beyond malaria.


Assuntos
Coinfecção/epidemiologia , Loa/isolamento & purificação , Malária/epidemiologia , Mansonella/isolamento & purificação , Adolescente , Adulto , Animais , Criança , Coinfecção/parasitologia , Estudos Transversais , DNA de Helmintos , Guiné Equatorial/epidemiologia , Feminino , Humanos , Loíase/sangue , Loíase/epidemiologia , Malária/sangue , Masculino , Mansonelose/sangue , Mansonelose/epidemiologia , Pessoa de Meia-Idade , Plasmodium/isolamento & purificação , Prevalência , Fatores Socioeconômicos
15.
Malar J ; 21(1): 23, 2022 Jan 24.
Artigo em Inglês | MEDLINE | ID: mdl-35073934

RESUMO

BACKGROUND: Surveillance programmes often use malaria rapid diagnostic tests (RDTs) to determine the proportion of the population carrying parasites in their peripheral blood to assess the malaria transmission intensity. Despite an increasing number of reports on false-negative and false-positive RDT results, there is a lack of systematic quality control activities for RDTs deployed in malaria surveillance programmes. METHODS: The diagnostic performance of field-deployed RDTs used for malaria surveys was assessed by retrospective molecular analysis of the blood retained on the tests. RESULTS: Of the 2865 RDTs that were collected in 2018 on Bioko Island and analysed in this study, 4.7% had a false-negative result. These false-negative RDTs were associated with low parasite density infections. In 16.6% of analysed samples, masked pfhrp2 and pfhrp3 gene deletions were identified, in which at least one Plasmodium falciparum strain carried a gene deletion. Among all positive RDTs analysed, 28.4% were tested negative by qPCR and therefore considered to be false-positive. Analysing the questionnaire data collected from the participants, this high proportion of false-positive RDTs could be explained by P. falciparum histidine rich protein 2 (PfHRP2) antigen persistence after recent malaria treatment. CONCLUSION: Malaria surveillance depending solely on RDTs needs well-integrated quality control procedures to assess the extent and impact of reduced sensitivity and specificity of RDTs on malaria control programmes.


Assuntos
Antígenos de Protozoários/análise , Coinfecção/diagnóstico , Testes Diagnósticos de Rotina/estatística & dados numéricos , Malária/diagnóstico , Vigilância da População , Proteínas de Protozoários/análise , Coinfecção/epidemiologia , Guiné Equatorial/epidemiologia , Reações Falso-Positivas , Incidência , Malária/epidemiologia , Malária Falciparum/diagnóstico , Malária Falciparum/epidemiologia , Ácidos Nucleicos/análise , Plasmodium falciparum/isolamento & purificação , Plasmodium malariae/isolamento & purificação , Plasmodium ovale/isolamento & purificação , Estudos Retrospectivos
16.
Bioinformatics ; 38(7): 1930-1937, 2022 03 28.
Artigo em Inglês | MEDLINE | ID: mdl-35043937

RESUMO

MOTIVATION: Analysis of volatile organic compounds (VOCs) in exhaled breath by proton transfer reaction time-of-flight mass spectrometry (PTR-TOF-MS) is of increasing interest for real-time, non-invasive diagnosis, phenotyping and therapeutic drug monitoring in the clinics. However, there is currently a lack of methods and software tools for the processing of PTR-TOF-MS data from cohorts and suited for biomarker discovery studies. RESULTS: We developed a comprehensive suite of algorithms that process raw data from patient acquisitions and generate the table of feature intensities. Notably, we included an innovative two-dimensional peak deconvolution model based on penalized splines signal regression for accurate estimation of the temporal profile and feature quantification, as well as a method to specifically select the VOCs from exhaled breath. The workflow was implemented as the ptairMS software, which contains a graphical interface to facilitate cohort management and data analysis. The approach was validated on both simulated and experimental datasets, and we showed that the sensitivity and specificity of the VOC detection reached 99% and 98.4%, respectively, and that the error of quantification was below 8.1% for concentrations down to 19 ppb. AVAILABILITY AND IMPLEMENTATION: The ptairMS software is publicly available as an R package on Bioconductor (doi: 10.18129/B9.bioc.ptairMS), as well as its companion experiment package ptairData (doi: 10.18129/B9.bioc.ptairData). SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.


Assuntos
Percepção do Tempo , Compostos Orgânicos Voláteis , Humanos , Prótons , Testes Respiratórios/métodos , Tempo de Reação , Espectrometria de Massas/métodos , Compostos Orgânicos Voláteis/análise , Biomarcadores/análise
17.
N Z Vet J ; 70(2): 109-118, 2022 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-34213388

RESUMO

CASE HISTORIES: Medical records of a veterinary hospital in Belgium were reviewed for dogs (n = 5) that presented between 2016 and 2019 with laryngeal paralysis secondary to bite wounds to the cervical region received while fighting with other dogs. The time elapsed between the trauma and presentation was from a few hours up to 5 days. CLINICAL FINDINGS AND TREATMENT: Bilateral laryngeal paralysis was identified in three dogs and unilateral laryngeal paralysis in two dogs via endoscopic assessment of laryngeal function. The primary concomitant lesions included tracheal injury in 3/5 dogs and oesophageal injury in 1/5 dogs. One dog with bilateral laryngeal paralysis was treated medically as no signs of dyspnoea were present. Surgical management was elected in 4/5 dogs based on evaluation of their clinical status and lesions revealed by endoscopic examination of upper gastrointestinal and respiratory tracts. Dogs underwent surgical procedures that were determined to be appropriate for treatment of the lesions identified on clinical examination, diagnostic imaging, and endoscopy. The cervical region was explored through a ventral midline approach in 2/4 cases, to close tracheal perforations. Temporary tracheostomy was performed in 2/4 cases. Procedures to correct brachycephalic airway obstructive syndrome were performed in 2/4 cases. Cricoarytenoid lateralisation was performed in 2/4 dogs. Dogs were hospitalised for 2-10 days and received antimicrobial therapy before surgery and for 2-3 weeks after surgery. Physical examination and respiratory function were normal in 3/5 dogs 4-6 months after discharge. Information regarding outcomes for two cases was obtained from the owners by telephone assessment 1-6 months after surgery. The owner of each dog reported the respiratory function to be excellent. DIAGNOSIS: Uni- or bilateral, transient or permanent laryngeal paralysis with concomitant oesophageal, tracheal, or laryngeal lesions following cervical dog bite injuries diagnosed by endoscopic examination of upper gastrointestinal and respiratory tracts. CLINICAL RELEVANCE: This case series describes the diagnosis and management of dogs with laryngeal paralysis secondary to cervical dog bite injuries. To the authors' knowledge, this is the first published report documenting bilateral laryngeal paralysis secondary to cervical dog bite injuries. Clinicians should be aware of this pathology and the importance of investigating laryngeal function in dogs presenting with cervical bites, particularly those with inspiratory dyspnoea. Upper airway and digestive endoscopy are recommended for complete assessment of cervical traumatic injuries.


Assuntos
Mordeduras e Picadas , Laringe , Paralisia das Pregas Vocais , Animais , Mordeduras e Picadas/veterinária , Cães , Laringe/lesões , Laringe/cirurgia , Traqueia , Paralisia das Pregas Vocais/etiologia , Paralisia das Pregas Vocais/veterinária
18.
Sci Data ; 8(1): 311, 2021 12 03.
Artigo em Inglês | MEDLINE | ID: mdl-34862403

RESUMO

Genes are pleiotropic and getting a better knowledge of their function requires a comprehensive characterization of their mutants. Here, we generated multi-level data combining phenomic, proteomic and metabolomic acquisitions from plasma and liver tissues of two C57BL/6 N mouse models lacking the Lat (linker for activation of T cells) and the Mx2 (MX dynamin-like GTPase 2) genes, respectively. Our dataset consists of 9 assays (1 preclinical, 2 proteomics and 6 metabolomics) generated with a fully non-targeted and standardized approach. The data and processing code are publicly available in the ProMetIS R package to ensure accessibility, interoperability, and reusability. The dataset thus provides unique molecular information about the physiological role of the Lat and Mx2 genes. Furthermore, the protocols described herein can be easily extended to a larger number of individuals and tissues. Finally, this resource will be of great interest to develop new bioinformatic and biostatistic methods for multi-omics data integration.


Assuntos
Modelos Animais de Doenças , Metabolômica , Proteômica , Proteínas Adaptadoras de Transdução de Sinal , Animais , Feminino , Fígado , Masculino , Proteínas de Membrana , Camundongos , Camundongos Endogâmicos C57BL , Proteínas de Resistência a Myxovirus , Fenótipo , Plasma
19.
Rev Med Liege ; 76(12): 884-889, 2021 12.
Artigo em Francês | MEDLINE | ID: mdl-34881833

RESUMO

The continuous and multidisciplinary care of children with type 1 diabetes contributes improving their quality of life. Nevertheless, psychological follow-up issues among parents of a diabetic child are less developed in studies. At present, there is a need to develop research on psychological parental adjustment in order to identify risk and protective factors for understanding the parental experience and improving the initiatives to prevent the parental distress. Our results argue for a crucial role of intolerance of uncertainty in parental concerns. This study supports the continuous psychological follow-up of parents in close collaboration with medical teams.


La prise en charge continue et pluridisciplinaire des enfants atteints de diabète de type 1 contribue à l'amélioration de leur qualité de vie. Cependant, les enjeux du suivi psychologique des parents d'un enfant diabétique sont moins développés dans les travaux de la littérature. À l'heure actuelle, il est nécessaire de réaliser des recherches portant sur l'ajustement psychologique parental afin d'identifier les facteurs de risque et de protection dans la compréhension du vécu des parents dans le but d'améliorer les initiatives de prévention de la détresse parentale. Nos résultats plaident pour un rôle non négligeable du facteur d'intolérance à l'incertitude au maintien des inquiétudes parentales. Cette étude confirme l'intérêt d'un suivi psychologique continu des parents en étroite collaboration avec les équipes médicales.


Assuntos
Diabetes Mellitus Tipo 1 , Adaptação Psicológica , Criança , Ajustamento Emocional , Humanos , Pais , Estudos Prospectivos , Qualidade de Vida , Estresse Psicológico
20.
Artigo em Inglês | MEDLINE | ID: mdl-34639304

RESUMO

Similar interventions to stop the spread of COVID-19 led to different outcomes in Latin American countries. This study aimed to capture the multicausality of factors affecting HS-capacity that could help plan a more effective response, considering health as well as social aspects. A facilitated GMB was constructed by experts and validated with a survey from a wider population. Statistical analyses estimated the impact of the main factors to the HS-capacity and revealed the differences in its mechanisms. The results show a similar four-factor structure in all countries that includes public administration, preparedness, information, and collective self-efficacy. The factors are correlated and have mediating effects with HS-capacity; this is the base for differences among countries. HS-capacity has a strong relation with public administration in Bolivia, while in Nicaragua and Uruguay it is related through preparedness. Nicaragua lacks information as a mediation effect with HS-capacity whereas Bolivia and Uruguay have, respectively, small and large mediation effects with it. These outcomes increase the understanding of the pandemic based on country-specific context and can aid policymaking in low-and middle-income countries by including these factors in future pandemic response models.


Assuntos
COVID-19 , Pandemias , Humanos , América Latina/epidemiologia , Pandemias/prevenção & controle , SARS-CoV-2 , Uruguai/epidemiologia
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