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1.
J Am Chem Soc ; 146(25): 17348-17354, 2024 Jun 26.
Artigo em Inglês | MEDLINE | ID: mdl-38864188

RESUMO

Our study unveils a novel approach to accessing boryl radicals through the spontaneous homolytic cleavage of B-B bonds. We synthesized a hexaaryl-substituted diboron(6) dianion, 1, via the reductive B-B coupling of 9-borafluorene. Intriguingly, compound 1 exhibits the ability to undergo homolytic B-B bond cleavage, leading to the formation of boryl radical anions, as confirmed by EPR studies, in the presence of the 2.2.2-cryptand at room temperature. Moreover, it directly reacts with diphenylacetylene, producing an unprecedented 1,6-diborylated allene species, where the phenyl ring is dearomatized. Density functional theory computational studies suggest that homolytic B-B bond cleavage is favored in the reaction path, and the formation of the boryl radical anion is crucial for dearomatization. Additionally, it achieves the dearomative diborylation of anthracene and the activation of elemental sulfur/selenium under mild conditions. The borylation products have been successfully characterized by NMR spectra, HRMS, and X-ray single-crystal diffraction.

2.
Work ; 2024 Mar 25.
Artigo em Inglês | MEDLINE | ID: mdl-38552131

RESUMO

BACKGROUND: Trolley bags have gained popularity among students, but there is limited research comparing them to backpack-style school bags. OBJECTIVE: This study aimed to compare how carrying a backpack versus a trolley bag affects the activity of trunk and lower limb muscles in secondary school students. METHODS: Electromyographic activity was measured in 25 students (13.4±1.1 years) as they walked on level ground and up/down stairs while carrying both types of bags. The activity of the gastrocnemius, tibialis anterior, semitendinosus, rectus femoris, lumbar erector spinae, and rectus abdominis muscles was assessed on both the dominant and non-dominant sides. RESULTS: The study found significantly reduced muscle activation in most of the targeted muscles when walking on level ground with the trolley bag and when going up/down stairs with the backpack. CONCLUSIONS: Lifting a trolley bag depends on the slope of the walking surface and is more efficient on level ground, while carrying a backpack is more efficient when going up and down stairs. Since it is not practical to switch bags when encountering stairs in schools, a bag with a mixed model design incorporating features of both trolley and backpack may be more beneficial and practical for students to use. Students, parents, and teachers should be aware of the injury risks associated with carrying different types of bags.

3.
J Autism Dev Disord ; 2024 Jan 17.
Artigo em Inglês | MEDLINE | ID: mdl-38231380

RESUMO

Evidence-based robotic intervention programmes for children with autism spectrum disorder (ASD) have been limited. As yet, there is insufficient evidence to inform therapists, teachers, and service providers on effectiveness of robotic intervention to enhance social development and participation of children with ASD in a real context. This study used a randomised controlled trial to test the efficacy of robotic intervention programmes in enhancing the social development and participation of children with ASD. 60 children with ASD were included. The participants were randomly assigned to the following groups: (1) robotic intervention programme (n = 20), (2) human-instructed programme (n = 20), and (3) control group (n = 20). Both the performance-based behavioural change in social communication and parent-reported change in social responsiveness were evaluated. The participants in the robotic intervention group demonstrated statistically significant changes in both the performance-based assessment and parent-reported change in social participation. Significant differences were found in the communication and reciprocal social interactions scores between the experimental group and the control and comparison groups in the performance-based assessment (p < 0.01). The effectiveness of robotic intervention programme to enhance the social communication and participation was confirmed. Future studies may also consider adding a maintenance phase to document how the effects of the intervention carry over to the participants over a longer period. (Clinical trial number: NCT04879303; Date of registration: 10 May 2021).

4.
Heliyon ; 9(8): e18946, 2023 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-37636375

RESUMO

DNA barcoding of herbs allows accurate species authentication. However, the DNA of herbs are often not easily PCR amplified due to co-extraction of inhibitors. Methods have been developed to improve DNA extraction to reduce contaminants. These methods usually require toxic chemical treatments or expensive commercial kits and are labor intensive. In this report, we collected the air passed from the herbs and directly amplified the DNA obtained. Results showed that DNA could be obtained, and it was PCR amplifiable. Sequencing of the amplified DNA allowed species authentication. This DNA collection method is applicable to herbs from different plant tissues. It has the advantages of reducing the use of toxic substances and more economical.

5.
Front Chem ; 11: 1195883, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37332894

RESUMO

Introduction: The plant Patrinia villosa Juss. (PV) has long been used as a medicinal herb for treating intestinal disorders. Pharmacological activities such as anti-oxidation, anti-inflammation, and anti-cancer effects of compounds isolated from PV have been reported, but these bioactive compounds were not derived from PV water extract (PVW). Therefore, in the present study, we aimed to identify the active component(s) of PVW which exhibit inhibitory activities in colon cancer cells viability and migration. Methods: Human colon cancer HCT116 cells were treated with the isolated compounds of PVW and then subjected to MTT and transwell migration assays. Results: Our results showed that an active compound in PVW, 8,9-didehydro-7-hydroxydolichodial (DHD) inhibited cell viability of HCT116 cells, with IC50 value at 6.1 ± 2.2 µM. Interestingly, DHD was not detected in the herbal material of PV. Further investigation revealed that DHD is in fact a heat-generated compound derived from a natural compound present in PV, namely valerosidate. Valerosidate also reduced cell viability in HCT116 cells, with IC50 value at 22.2 ± 1.1 µM. Moreover, both DHD (2.75 µM) and valerosidate (10.81 µM) suppressed cell migration in HCT116 cells, with inhibitory rates at 74.8% and 74.6%, respectively. In addition, western blot results showed that DHD (5.5 µM) could significantly increase p53 expression by 34.8% and PTEN expression by 13.9%, while valerosidate (21.6 µM) could increase expressions of p53 and PTEN by 26.1% and 34.6%, respectively in HCT116 cells after 48 h treatment. Discussion: Taken together, this is the first report that a naturally-occurring valerosidate present in PV could actually transform to DHD by thermal hydrolysis, and both compounds exhibited inhibitory effects on cell viability and migration in HCT116 cells via increasing the expressions of tumor suppressors (p53 and PTEN). Our findings demonstrated that valerosidate is present in raw herb PV but not in PVW, while DHD is present in PVW rather than in raw herb PV. This difference in chemical profiles of raw herb and boiled water extract of PV may affect the anti-cancer activity, and hence further investigations are warranted.

6.
J Ethnopharmacol ; 309: 116322, 2023 Jun 12.
Artigo em Inglês | MEDLINE | ID: mdl-36868436

RESUMO

ETHNOPHARMACOLOGICAL RELEVANCE: Ilex pubescens Hook. et Arn. (Maodongqing, MDQ) is a common herbal tea ingredient in Southern China for heat clearance and anti-inflammation. Our preliminary screening showed that 50% ethanol extract of its leaves has anti-influenza virus activity. In this report, we proceed to identify the active components and clarify the related anti-influenza mechanisms. AIM: We aim to isolate and identify the anti-influenza virus phytochemicals from the extract of the MDQ leaves, and study their anti-influenza virus mechanism. MATERIAL AND METHODS: Plaque reduction assay was used to test the anti-influenza virus activity of fractions and compounds. Neuraminidase inhibitory assay was used to confirm the target protein. Molecular docking and reverse genetics were used to confirm the acting site of caffeoylquinic acids (CQAs) on viral neuraminidase. RESULTS: Eight CQAs, 3,5-di-O-caffeoylquinic acid methyl ester (Me 3,5-DCQA), 3,4-di-O-caffeoylquinic acid methyl ester (Me 3,4-DCQA), 3,4,5-tri-O-caffeoylquinic acid methyl ester (Me 3,4,5-TCQA), 3,4,5-tri-O-caffeoylquinic acid (3,4,5-TCQA), 4,5-di-O-caffeoylquinic acid (4,5-DCQA), 3,5-di-O-caffeoylquinic acid (3,5-DCQA), 3,4-di-O-caffeoylquinic acid (3,4-DCQA), and 3,5-di-O-caffeoyl-epi-quinic acid (3,5-epi-DCQA) were identified from the MDQ leaves, in which Me 3,5-DCQA, 3,4,5-TCQA and 3,5-epi-DCQA were isolated for the first time. All these eight compounds were found to inhibit neuraminidase (NA) of influenza A virus. The results of molecular docking and reverse genetics indicated that 3,4,5-TCQA interacted with Tyr100, Gln412 and Arg419 of influenza NA, and a novel NA binding groove was found. CONCLUSION: Eight CQAs isolated from the leaves of MDQ were found to inhibit influenza A virus. 3,4,5-TCQA was found to interact with Tyr100, Gln412 and Arg419 of influenza NA. This study provided scientific evidence on the use of MDQ for treating influenza virus infection, and laid the foundation for the development of CQA derivatives as potential antiviral agents.


Assuntos
Ilex , Ácido Quínico , Ácido Quínico/farmacologia , Ácido Quínico/química , Simulação de Acoplamento Molecular , Neuraminidase , Extratos Vegetais/farmacologia , Extratos Vegetais/química , Bioensaio
7.
ACS Chem Neurosci ; 14(2): 289-299, 2023 01 18.
Artigo em Inglês | MEDLINE | ID: mdl-36580663

RESUMO

Expansions of ATTTT and ATTTC pentanucleotide repeats in the human genome are recently found to be associated with at least seven neurodegenerative diseases, including spinocerebellar ataxia type 37 (SCA37) and familial adult myoclonic epilepsy (FAME) types 1, 2, 3, 4, 6, and 7. The formation of non-B DNA structures during some biological processes is thought as a causative factor for repeat expansions. Yet, the structural basis for these pyrimidine-rich ATTTT and ATTTC repeat expansions remains elusive. In this study, we investigated the solution structures of ATTTT and ATTTC repeats using nuclear magnetic resonance spectroscopy. Here, we reveal that ATTTT and ATTTC repeats can form a highly compact minidumbbell structure at the 5'-end using their first two repeats. The high-resolution structure of two ATTTT repeats was determined, showing a regular TTTTA pentaloop and a quasi TTTT/A pentaloop. Furthermore, the minidumbbell structure could escape from proofreading by the Klenow fragment of DNA polymerase I when it was located at five or more base pairs away from the priming site, leading to a small-scale repeat expansion. Results of this work improve our understanding of ATTTT and ATTTC repeat expansions in SCA37 and FAMEs, and provide high-resolution structural information for rational drug design.


Assuntos
Epilepsias Mioclônicas , Proteínas do Tecido Nervoso , Ataxias Espinocerebelares , Adulto , Humanos , Imageamento por Ressonância Magnética , Espectroscopia de Ressonância Magnética , Repetições de Microssatélites , Proteínas do Tecido Nervoso/genética , Ataxias Espinocerebelares/genética , Epilepsias Mioclônicas/genética
8.
J Am Chem Soc ; 144(36): 16612-16619, 2022 Sep 14.
Artigo em Inglês | MEDLINE | ID: mdl-36043840

RESUMO

Herein, we report robust π-conjugated radical cations resulting from the oxidation of hexabenzoperylene (HBP) derivatives, HBP-B and HBP-H, which have butyl and hexyl groups, respectively, attached to the same twisted double helicene π-backbone. The radical cation of HBP-B was successfully crystallized in the form of hexafluorophosphate, which exhibited conductivity as high as 1.32 ± 0.04 S cm-1. Photochemical oxidation of HBP-H by molecular oxygen led to the formation of its radical cation in the solid state, as found with different techniques. This allowed the organic field effect transistor of HBP-H to function as a nonvolatile optoelectronic memory, with the memory switching contrast above 103 and long-term stability without using a floating gate, an electret layer, or photochromic molecules.

9.
Eur Spine J ; 31(11): 3013-3019, 2022 11.
Artigo em Inglês | MEDLINE | ID: mdl-35922635

RESUMO

PURPOSE: Although it is evident that some patients with adolescent idiopathic scoliosis (AIS) have proprioceptive deficit in peripheral joints, knowledge on the proprioceptive function of the deformed spine is limited. Nonetheless, spinal proprioception in AIS may be affected three-dimensionally, prior studies only focussed on evaluating peripheral proprioception in single plane. Therefore, this study aimed to develop a novel spinal proprioception assessment using three-dimensional motion analysis in patients with AIS. METHODS: Participants were included if they had a primary diagnosis of AIS who did not receive or failed conservative treatments. Three trunk repositioning tests involving flexion-extension, lateral-flexion, and axial-rotation were conducted. A three-dimensional kinematics of the trunk was used as the outcome measures. The proprioceptive acuity was quantified by the repositioning error. The intra-examiner and test-retest reliability were analysed by the intraclass correlation coefficient (ICC). RESULTS: Fifty-nine patients with AIS were recruited. Regarding the trunk flexion-extension test, the single measure ICC showed moderate reliability (0.46) and the average measures ICC demonstrated good reliability (0.72). As for the trunk lateral-flexion test, the reliability of single measure and average measures ICC was moderate (0.44) and good (0.70) reliability, respectively. For the trunk axial-rotation test, the single measure ICC indicated fair reliability (0.32), while the average measures ICC showed moderate reliability (0.59). CONCLUSION: This is the first study to evaluate the reliability of novel three-dimensional spinal proprioception assessments in patients with AIS. The trunk flexion-extension repositioning test may be preferable clinical test given its highest reliability.


Assuntos
Cifose , Escoliose , Humanos , Adolescente , Escoliose/diagnóstico , Reprodutibilidade dos Testes , Coluna Vertebral , Propriocepção
10.
J Am Chem Soc ; 144(17): 7588-7593, 2022 05 04.
Artigo em Inglês | MEDLINE | ID: mdl-35442033

RESUMO

As a strategy to design stable but highly reactive metal nitrido species, we have synthesized a manganese(V) nitrido complex bearing a bulky corrole ligand, [MnV(N)(TTPPC)]- (1, TTPPC is the trianion of 5,10,15-Tris(2,4,6-triphenylphenyl)corrole). Complex 1 is readily oxidized by 1 equiv of Cp2Fe+ to give the neutral complex 2, which can be further oxidized by 1 equiv of [(p-Br-C6H4)3N•+][B(C6F5)4] to afford the cationic complex 3. All three complexes are stable in the solid state and in CH2Cl2 solution, and their molecular structures have been determined by X-ray crystallography. Spectroscopic and theoretical studies indicate that complexes 2 and 3 are best formulated as Mn(V) nitrido π-cation corrole [MnV(N)(TTPPC+•)] and Mn(V) nitrido π-dication corrole [MnV(N)(TTPPC2+)]+, respectively. Complex 3 is the most reactive N atom transfer reagent among isolated nitrido complexes; it reacts with PPh3 and styrene with second-order rate constants of 2.12 × 105 and 1.95 × 10-2 M-1 s-1, respectively, which are >107 faster than that of 2.


Assuntos
Manganês , Porfirinas , Elétrons , Íons , Ligantes , Manganês/química , Porfirinas/química
11.
PLoS One ; 17(4): e0267143, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-35421189

RESUMO

We set forth to assess the quality of an herbal medicine sold in Hong Kong called Qianliguang by employing a multi-methodological approach. The quality is set by its identity, chemical composition, and bioactivities, among others. Qianliguang (Senecionis scandentis Herba, Senecio scandens Buch.-Ham. ex D.Don) has known antibacterial properties. However, it is poisonous and overconsumption can result in liver damage. Eighteen Qianliguang samples were purchased from herbal shops at various districts in Hong Kong. Samples were first authenticated organoleptically. DNA barcoding at the psbA-trnH, ITS2, and rbcL loci was then conducted to confirm the species. HPLC-UV was performed to screen for the presence of the chemical compounds and to quantify the flavonoid hyperoside. UPLC-MS was used to quantify the amount of the toxic pyrrolizidine alkaloid (PA) adonifoline. Microdilution assay was performed to show the antibacterial effect on Streptococcus aureus and S. pneumoniae. Results showed that five samples were found to be substituted by species belonging to the genus Lespedeza; four samples were mixtures containing not only Qianliguang but also Achyranthes aspera L., Lonicera confusa DC., or Solanum nigrum L. HPLC-UV showed that only ten contained enough hyperoside to meet the standard requirement. In addition, nine samples had adonifoline that exceeded the toxicity standard requirement. In the microdilution assay, samples containing Qianliguang showed inhibition on S. aureus and S. pneumoniae, while among the five Lespedeza sp. samples the antibacterial effects on S. aureus were not detectable; only one sample showed inhibition to S. pneumoniae. Our study illustrated the necessity of using a multi-methodological approach for herbal medicine quality assessment. We also showed that Qianliguang samples in the Hong Kong market were either toxic or adulterated. It is therefore essential to improve the quality control of Qianliguang and probably other herbs in the herbal market.


Assuntos
Plantas Medicinais , Senécio , Antibacterianos/farmacologia , Cromatografia Líquida , Código de Barras de DNA Taxonômico , Plantas Medicinais/genética , Senécio/genética , Staphylococcus aureus/genética , Espectrometria de Massas em Tandem
12.
J Ethnopharmacol ; 292: 115175, 2022 Jun 28.
Artigo em Inglês | MEDLINE | ID: mdl-35306041

RESUMO

ETHNOPHARMACOLOGICAL RELEVANCE: Canarium album (Lour.) DC. belongs to the Burseraceae family. Its leaf, named as Ganlanye (GLY), was recorded to treat warm disease symptoms via clearing lung heat and toxicants in medical classics. Its aqueous extract had anti-influenza activity in our previous phenotypic screening. However, its active components and mechanism were not identified. AIM: We aim to isolate the anti-influenza phytochemicals from GLY extract and explore its anti-flu mechanism. MATERIAL AND METHODS: Influenza A virus infected MDCK cells were used to test the compounds and fractions. Structural analyses of new compounds were performed via NMR calculation with the combination of DP4plus probability method and computed electronic circular dichroism (ECD). Hemagglutination inhibitory assay and neuraminidase inhibitory assay were performed to find the target protein. Molecular docking and recombinant virus were used to confirm the action site of the three new canaroleosides. RESULTS: Three new phenolic glycosides, canaroleosides A-C (1-3), and three known flavonoids (4-6), were isolated from the GLY aqueous extract and their anti-influenza virus mechanism was revealed. The absolute configurations of 1-3 were determined by ECD method, with the structure of the 2,5-dihydroxybenzoic acid moiety in 1 assigned by NMR calculation. Compound 1 was found to suppress both hemagglutinin and neuraminidase activities. Compounds 2, 3 4 and 6 inhibited neuraminidase, while compound 5 inhibited hemagglutinin. 1-3 could interact with Arg152 of the viral neuraminidase based on the result of molecular docking and reverse genetics. CONCLUSION: Six phytochemicals were isolated from GLY aqueous extract and found to inhibit influenza A strains. They were found to interact with hemagglutinin or neuraminidase and canaroleosides 1-3 could interact with Arg152 of the viral neuraminidase. This study provided more evidence on the anti-influenza effect of Ganlan and laid the foundation for further generation of potent NA inhibitors.


Assuntos
Burseraceae , Influenza Humana , Antivirais , Burseraceae/química , Hemaglutininas , Humanos , Simulação de Acoplamento Molecular , Neuraminidase , Compostos Fitoquímicos/farmacologia , Extratos Vegetais/farmacologia
13.
FEBS Lett ; 596(6): 826-840, 2022 03.
Artigo em Inglês | MEDLINE | ID: mdl-35060128

RESUMO

Minidumbbell (MDB) is a noncanonical DNA structure found to form in several pyrimidine-rich short tandem repeats associated with neurodegenerative diseases. The most recently reported MDB contains two pentaloops formed by ATTCT repeats. Here, we studied the effects of a purine residue and a backbone discontinuous site on the structure and thermal stability of MDBs containing two pentaloops. It was found that a purine as the fourth loop residue improved the thermal stability of MDBs containing two regular pentaloops, while a backbone discontinuous site between the third and fourth, or between the fourth and fifth loop residues enhanced the thermal stability of MDBs containing a regular and a quasi pentaloops. The results of this study provide new insights into the sequence criteria and structural basis of MDBs.


Assuntos
DNA , Purinas , DNA/química , DNA/genética , Conformação de Ácido Nucleico
14.
J Am Chem Soc ; 143(38): 15863-15872, 2021 09 29.
Artigo em Inglês | MEDLINE | ID: mdl-34498856

RESUMO

Manganese complexes in +6 oxidation state are rare. Although a number of Mn(VI) nitrido complexes have been generated in solution via one-electron oxidation of the corresponding Mn(V) nitrido species, they are too unstable to isolate. Herein we report the isolation and the X-ray structure of a Mn(VI) nitrido complex, [MnVI(N)(TAML)]- (2), which was obtained by one-electron oxidation of [MnV(N)(TAML)]2- (1). 2 undergoes N atom transfer to PPh3 and styrenes to give Ph3P═NH and aziridines, respectively. A Hammett study for various p-substituted styrenes gives a V-shaped plot; this is rationalized by the ability of 2 to function as either an electrophile or a nucleophile. 2 also undergoes hydride transfer reactions with NADH analogues, such as 10-methyl-9,10-dihydroacridine (AcrH2) and 1-benzyl-1,4-dihydronicotinamide (BNAH). A kinetic isotope effect of 7.3 was obtained when kinetic studies were carried out with AcrH2 and AcrD2. The reaction of 2 with NADH analogues results in the formation of [MnV(N)(TAML-H+)]- (3), which was characterized by ESI/MS, IR spectroscopy, and X-ray crystallography. These results indicate that this reaction occurs via an initial "separated CPET" (separated concerted proton-electron transfer) mechanism; that is, there is a concerted transfer of 1 e- + 1 H+ from AcrH2 (or BNAH) to 2, in which the electron is transferred to the MnVI center, while the proton is transferred to a carbonyl oxygen of TAML rather than to the nitrido ligand.

15.
Endocr Pract ; 27(11): 1114-1118, 2021 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-34217894

RESUMO

OBJECTIVE: To evaluate the significance of antithyroglobulin and antithyroid peroxidase antibody levels associated with locoregional metastatic disease in patients with well-differentiated thyroid cancer. METHODS: Patients underwent initial treatment for well-differentiated thyroid cancer at our institution between 2014 and 2018. The following variables were collected: age, sex, pre-operative thyroid-stimulating hormone, thyroglobulin, antithyroglobulin antibody (TgAb), antithyroid peroxidase antibody (TPOAb), the extent of surgery, T-stage, N-stage, extrathyroidal extension (ETE), extranodal extension (ENE), lymphovascular invasion, and multifocal disease. The relationships between disease status and pre-operative TPOAb, TgAb, thyroglobulin, and thyroid-stimulating hormone were analyzed. RESULTS: A total of 405 patients (mean age, 52 years) were included in the study, of which 66.4% were women. Elevated TgAb was associated with the presence of lymph node metastases (LNM) in both the central and lateral neck (P < .01), with a stronger correlation to N1b versus N1a disease (P = .03). The presence of ETE was inversely related to the TgAb titer (P = .03). TPOAb was associated with a lower T-stage (P = .04), fewer LNM (P = .04), and a lower likelihood of ETE (P = .02). From multivariable analysis, TgAb ≥40 IU/mL was an independent predictive factor for a higher N-stage (P < .01 for N0 vs N1; P = .01 for N1a vs N1b), and ENE (P < .01). TPOAb ≥60 IU/mL was associated with a lower T-stage (P = .04 for T <3) and absence of ETE (P = .01). CONCLUSION: Elevated pre-operative TgAb was an independent predictor of nodal metastases and ENE, while elevated TPOAb was associated with a lower pathologic T- and N-stage. Pre-operative antithyroid antibody titers may be useful to inform the disease extent and features.


Assuntos
Tireoglobulina , Neoplasias da Glândula Tireoide , Autoanticorpos , Feminino , Humanos , Metástase Linfática , Pessoa de Meia-Idade , Estadiamento de Neoplasias , Neoplasias da Glândula Tireoide/patologia , Neoplasias da Glândula Tireoide/cirurgia , Tireotropina
16.
Sensors (Basel) ; 21(14)2021 Jul 06.
Artigo em Inglês | MEDLINE | ID: mdl-34300372

RESUMO

Wearable sensors facilitate running kinematics analysis of joint kinematics in real running environments. The use of a few sensors or, ideally, a single inertial measurement unit (IMU) is preferable for accurate gait analysis. This study aimed to use a convolutional neural network (CNN) to predict level-ground running kinematics (measured by four IMUs on the lower extremities) by using treadmill running kinematics training data measured using a single IMU on the anteromedial side of the right tibia and to compare the performance of level-ground running kinematics predictions between raw accelerometer and gyroscope data. The CNN model performed regression for intraparticipant and interparticipant scenarios and predicted running kinematics. Ten recreational runners were recruited. Accelerometer and gyroscope data were collected. Intraparticipant and interparticipant R2 values of actual and predicted running kinematics ranged from 0.85 to 0.96 and from 0.7 to 0.92, respectively. Normalized root mean squared error values of actual and predicted running kinematics ranged from 3.6% to 10.8% and from 7.4% to 10.8% in intraparticipant and interparticipant tests, respectively. Kinematics predictions in the sagittal plane were found to be better for the knee joint than for the hip joint, and predictions using the gyroscope as the regressor were demonstrated to be significantly better than those using the accelerometer as the regressor.


Assuntos
Corrida , Dispositivos Eletrônicos Vestíveis , Acelerometria , Fenômenos Biomecânicos , Teste de Esforço
17.
Int J Mol Sci ; 22(7)2021 Mar 31.
Artigo em Inglês | MEDLINE | ID: mdl-33807305

RESUMO

DNA methylation is a prevalent regulatory modification in prokaryotes and eukaryotes. N1-methyladenine (m1A) and N6-methyladenine (m6A) have been found to be capable of altering DNA structures via disturbing Watson-Crick base pairing. However, little has been known about their influences on non-B DNA structures, which are associated with genetic instabilities. In this work, we investigated the effects of m1A and m6A on both the structure and thermodynamic stability of a newly reported DNA minidumbbell formed by two TTTA tetranucleotide repeats. As revealed by the results of nuclear magnetic resonance spectroscopic studies, both m1A and m6A favored the formation of a T·m1A and T·m6A Hoogsteen base pair, respectively. More intriguingly, the m1A and m6A modifications brought about stabilization and destabilization effects on the DNA minidumbbell, respectively. This work provides new biophysical insights into the effects of adenine methylation on the structure and thermodynamic stability of DNA.


Assuntos
Adenina/química , Metilação de DNA/genética , DNA/química , Pareamento de Bases/genética , Metilação de DNA/fisiologia , Ligação de Hidrogênio , Estrutura Molecular , Ressonância Magnética Nuclear Biomolecular/métodos , Conformação de Ácido Nucleico , Motivos de Nucleotídeos/genética , Termodinâmica
18.
J Am Chem Soc ; 143(13): 5231-5238, 2021 Apr 07.
Artigo em Inglês | MEDLINE | ID: mdl-33764047

RESUMO

This study explores a bottom-up approach toward negatively curved carbon allotropes from octabenzo[8]circulene, a negatively curved nanographene. Stepwise chemical reduction reactions of octabenzo[8]circulene with alkali metals lead to a unique highly reduced hydrocarbon pentaanion, which is revealed by X-ray crystallography suggesting a local view for the reduction and alkali metal intercalation processes of negatively curved carbon allotropes. Polymerization of the tetrabromo derivative of octabenzo[8]circulene by the nickel-mediated Yamamoto coupling reaction results in a new type of porous carbon-rich material, which consists of a covalent network of negatively curved nanographenes. It has a specific surface area of 732 m2 g-1 and functions as anode material for lithium ion batteries exhibiting a maximum capacity of 830 mAh·g-1 at a current density of 100 mA·g-1. These results indicate that this covalent network presents the key structural and functional features of negatively curved carbon allotropes.

19.
Chemistry ; 27(22): 6740-6747, 2021 Apr 16.
Artigo em Inglês | MEDLINE | ID: mdl-33501691

RESUMO

Minidumbbell (MDB) is a recently identified non-B DNA structure that has been proposed to associate with genetic instabilities. It also serves as a functional structural motif in DNA nanotechnology. DNA molecular switches constructed using MDBs show instant and complete structural conversions with easy manipulations. The availability of stable MDBs can broaden their applications. In this work, we found that substitutions of cytosine with 5-methylcytosine could lead to a significant enhancement in the thermal stabilities of MDBs. Consecutive methylations of cytosine in MDBs brought about cumulative stabilization with a drastic increase in the melting temperature by 23 °C. NMR solution structures of two MDBs containing 5-methylcytosine residues have been successfully determined and revealed that the enhanced stabilities resulted primarily from favorable hydrophobic contacts, more stable base pairs and enhanced base-base stackings involving the methyl group of 5-methylcytosine.


Assuntos
5-Metilcitosina , DNA , Pareamento de Bases , Citosina , Conformação de Ácido Nucleico , Termodinâmica
20.
Artigo em Inglês | MEDLINE | ID: mdl-33291535

RESUMO

Background: This field experiment investigated the acute effects of brief mindfulness-based intervention (MBI) coupled with carbohydrate (CHO) intake on players' recovery from half-time break in a simulated soccer competition. Methods: In a single-blinded randomized crossover experiment, 14 male players received 3 treatments (Control: non-carbohydrate solution + travelling introduction audio; CHO: CHO-electrolyte solution + travelling introduction audio; and CHO_M: CHO-electrolyte solution + MBI) during simulated half-time breaks. Vertical jump, sprint performance, mindfulness level, rate of perceived exertion, muscle pain, mental fatigue, blood glucose, and lactate were measured immediately before, during, and after the exercise. Results: (1) MBI significantly increased participants' mindfulness level (Control vs. CHO_M, p < 0.01; CHO vs. CHO_M, p < 0.01) and decreased mental fatigue for CHO_M condition (pre vs. post, p < 0.01); (2) participants in the CHO_M condition performed better in the repeated sprint tests than in the Control and CHO condition (Control vs. CHO_M, p = 0.02; CHO vs. CHO_M, p = 0.02). Conclusion: Findings of this study provide preliminary evidence of the positive effect of MBI coupled with CHO ingestion on athletes' recovery from fatigue in the early stage of the second half of a game.


Assuntos
Desempenho Atlético , Carboidratos da Dieta , Atenção Plena , Futebol , Estudos Cross-Over , Método Duplo-Cego , Ingestão de Alimentos , Humanos , Masculino , Futebol/fisiologia
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