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1.
Brief Bioinform ; 25(2)2024 Jan 22.
Artículo en Inglés | MEDLINE | ID: mdl-38366802

RESUMEN

Anti-coronavirus peptides (ACVPs) represent a relatively novel approach of inhibiting the adsorption and fusion of the virus with human cells. Several peptide-based inhibitors showed promise as potential therapeutic drug candidates. However, identifying such peptides in laboratory experiments is both costly and time consuming. Therefore, there is growing interest in using computational methods to predict ACVPs. Here, we describe a model for the prediction of ACVPs that is based on the combination of feature engineering (FE) optimization and deep representation learning. FEOpti-ACVP was pre-trained using two feature extraction frameworks. At the next step, several machine learning approaches were tested in to construct the final algorithm. The final version of FEOpti-ACVP outperformed existing methods used for ACVPs prediction and it has the potential to become a valuable tool in ACVP drug design. A user-friendly webserver of FEOpti-ACVP can be accessed at http://servers.aibiochem.net/soft/FEOpti-ACVP/.


Asunto(s)
Algoritmos , Péptidos , Humanos , Secuencia de Aminoácidos , Péptidos/farmacología , Aprendizaje Automático
2.
Opt Express ; 31(2): 3187-3198, 2023 Jan 16.
Artículo en Inglés | MEDLINE | ID: mdl-36785316

RESUMEN

The sensitivities of quantum sensing in metrology and spectroscopy are drastically influenced by the resolution of the frequency spectrum. However, the resolution is hindered by the decoherence effect between the sensor and the environment. Along these lines, the continue-wave optically detected magnetic resonance (CWODMR) method combined with the heterodyne readout was proposed to break the limitation of the sensor's coherence time. The frequency of the magnetic field was swept to match the unknown signal, and the signal can be transformed to a real-time frequency-domain curve via the heterodyne readout, with a frequency resolution of 4.7 millihertz. Using the nitrogen-vacancy (NV) center ensemble in a diamond as the solid-spin sensors, it was demonstrated that the frequency resolution and precision could be improved proportionally to the low-pass filter parameters of Tc -1 and Tc -1.5, respectively. Furthermore, the introduced method performed the sensing of arbitrary audio signals with a sensitivity of 7.32 nT·Hz-1/2@10 kHz. Our generic approach can be extended to several fields, such as molecular structure determination and biomagnetic field detection, where high-fidelity detection properties across multiple frequency bands are required within small sensing volumes (∼ mm3).

3.
Headache ; 63(1): 62-70, 2023 01.
Artículo en Inglés | MEDLINE | ID: mdl-36651491

RESUMEN

OBJECTIVE: The aims were to explore the prevalence and clinical features of fibromyalgia in Chinese hospital patients with primary headache. BACKGROUND: Studies done in non-Chinese populations suggest that around one-third of patients with primary headache have fibromyalgia, but data from mainland China are limited. Investigations into the prevalence and clinical features of fibromyalgia in Chinese patients with primary headache would improve our understanding of these two complex disease areas and help guide future clinical practice. METHODS: This cross-sectional study included adults with primary headache treated at 23 Chinese hospitals from September 2020 to May 2021. Fibromyalgia was diagnosed using the modified 2010 American College of Rheumatology criteria. Mood and insomnia were evaluated employing the Hospital Anxiety and Depression Scale and the Insomnia Severity Index. RESULTS: A total of 2782 participants were analyzed. The fibromyalgia prevalence was 6.0% (166/2782; 95% confidence interval: 5.1%, 6.8%). Compared to primary headache patients without combined fibromyalgia, patients with primary headache combined with fibromyalgia were more likely to be older (47.8 vs. 41.7 years), women (83.7% [139/166] vs. 72.8% [1904/2616]), less educated (65.1% [108/166] vs. 45.2% [1183/2616]), and with longer-duration headache (10.0 vs. 8.0 years). Such patients were more likely to exhibit comorbid depression (34.3% [57/166] vs. 9.9% [260/2616]), anxiety (16.3% [27/166] vs. 2.7% [70/2612]), and insomnia (58.4% [97/166] vs. 17.1% [447/2616]). Fibromyalgia was more prevalent in those with chronic (rather than episodic) migraine (11.1% [46/414] vs. 4.4% [72/1653], p < 0.001) and chronic (rather than episodic) tension-type headache (11.5% [27/235] vs. 4.6% [19/409], p = 0.001). Most fibromyalgia pain was in the shoulders, neck, and upper back. CONCLUSIONS: The prevalence of fibromyalgia in mainland Chinese patients with primary headache was 6.0%. Fibromyalgia was more common in those with chronic rather than episodic headache. The most common sites of fibromyalgia pain were the neck, shoulders, and back.


Asunto(s)
Fibromialgia , Trastornos Migrañosos , Trastornos del Inicio y del Mantenimiento del Sueño , Adulto , Humanos , Femenino , Fibromialgia/epidemiología , Prevalencia , Estudios Transversales , Trastornos del Inicio y del Mantenimiento del Sueño/epidemiología , Cefalea/epidemiología , Comorbilidad , Trastornos Migrañosos/epidemiología
4.
BMC Nephrol ; 24(1): 384, 2023 12 21.
Artículo en Inglés | MEDLINE | ID: mdl-38129773

RESUMEN

BACKGROUND: Hereditary renal hypouricemia (RHUC) is a heterogenous disorder characterized by defective uric acid (UA) reabsorption resulting in hypouricemia and increased fractional excretion of UA. RHUC is an important cause of exercise-induced acute kidney injury (EIAKI), nephrolithiasis and posterior reversible encephalopathy syndrome (PRES). We present here an unusual case of a patient with RHUC who presented with recurrent EIAKI and had two heterozygous mutations in the SLC2A9 gene. CASE PRESENTATION: A 43-year old man was admitted to our clinic because of bilateral loin pain, nausea and sleeplessness for 3 days after strenuous exercise. The laboratory results revealed increased levels of blood urea nitrogen (BUN) (15 mmol/l) and serum creatinine (Scr) (450 µmol/l), while the UA level was extremely low at 0.54 mg/dl, and his fractional excretion of urate (FE-UA) was 108%. The patient had an episode of acute kidney injury after playing soccer approximately 20 years ago, and on routine physical examination, his UA was less than 0.50 mg/dl. In view of the marked hypouricemia and high FE-UA, a diagnosis of RHUC was suspected, which led us to perform mutational screening of the SLC22A12 and SLC2A9 genes. DNA sequencing revealed no mutation in SLC22A12 gene, but two heterozygous mutations in the SLC2A9 gene. CONCLUSIONS: This is a rare report of a patient with RHUC2 due to the mutation of SLC2A9. And this unique symptom of EIAKI and decreased or normal serum concentrations of UA warrant more attention as an early cue of RHUC.


Asunto(s)
Lesión Renal Aguda , Transportadores de Anión Orgánico , Síndrome de Leucoencefalopatía Posterior , Masculino , Humanos , Adulto , Síndrome de Leucoencefalopatía Posterior/complicaciones , Síndrome de Leucoencefalopatía Posterior/diagnóstico , Síndrome de Leucoencefalopatía Posterior/genética , Proteínas Facilitadoras del Transporte de la Glucosa/genética , Lesión Renal Aguda/etiología , Lesión Renal Aguda/complicaciones , Heterocigoto , Mutación , Ácido Úrico , Transportadores de Anión Orgánico/genética , Proteínas de Transporte de Catión Orgánico/genética
5.
Asia Pac J Clin Nutr ; 32(4): 444-459, 2023 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-38135480

RESUMEN

BACKGROUND AND OBJECTIVES: Macronutrients play a vital role in liver dysfunction and affect tuberculosis treatment and prognosis. However, macronutrients intake was inadequate for most tuberculosis patients. This study aimed to clarify the associations between macronutrients intake or energy percentages and liver dys-function in tuberculosis patients. METHODS AND STUDY DESIGN: In this cross-sectional study, 2581 active tu-berculosis patients aged ≥18 years were included from local tuberculosis clinics in Linyi, China. Macronutrients intake and energy percentages were assessed by 24-hour dietary recalls. The concentration of alanine transferase (ALT) or aspartate transaminase (AST) greater than 40 U/L was defined as liver dysfunction. A restricted cubic spline (RCS) was applied to determine the dose-response relationships. RESULTS: Liver dysfunction was assessed for 14.6% (377 patients) of tuberculosis patients. Higher protein (Q2-Q4 in model 1 and 2) or fat intake and fat-to-energy percentages and lower carbohydrate-to-energy percentages (Q4 in model 1) were associated with a decreased incidence of liver dysfunction (p-trend < 0.05). Among those who were male, normal BMI, or consumed energy <1636 kcal/d, inverse associations between protein or fat intake and the risks of liver dysfunction in models were suggested (p-trend < 0.05). Moreover, J-shaped curves in RCS were evident in liver dysfunction tuberculosis patients with protein or fat intake (p-nonlinearity < 0.05). Conclu-sions: Significant linear associations between macronutrients intake or energy percentages and liver dysfunction prevalence were found only in male, normal BMI, or less energy intake patients. The shapes of liver dysfunction-morbidity differed significantly by macronutrients intake or energy percentage.


Asunto(s)
Hepatopatías , Tuberculosis , Humanos , Masculino , Adolescente , Adulto , Femenino , Estudios Transversales , Carbohidratos de la Dieta , Dieta , Ingestión de Energía , Nutrientes , Tuberculosis/epidemiología , Grasas de la Dieta , Proteínas en la Dieta
6.
Environ Monit Assess ; 195(7): 817, 2023 Jun 07.
Artículo en Inglés | MEDLINE | ID: mdl-37286699

RESUMEN

Land space is an important link between human social-economic activities and the evolution of the natural environment. Its changes can directly reflect the transformation process of mankind's activities on the surface system, and it is a core element of the study of global environmental change. In the research, based on the "three districts and three lines" classification method of national land spatial, the urban space, agricultural space, and ecological space of Tianjin were divided. Natural trend, economic development, cultivated land protection, and ecological priority were set as four simulation scenarios, which were predicted by the Markov-Plus model for the spatial pattern of national land in 2030. Data statistics and the MSPA model were used to quantitatively analyze Tianjin's future land space from two aspects of structure and pattern. The main conclusions were as follows: (1) The overall accuracy of the simulation results of the Markov-Plus model was 0.971, and its kappa value was 0.948. The simulation accuracy was relatively high, which provides a reference for future spatial simulation prediction in this area. (2) In different simulation scenarios, the changing trend of Tianjin's land space scale from 2020 to 2030 was that urban space continues to increase, while agricultural space and ecological space decrease successively. (3) Each simulation scenario achieves good results for spatial prediction under the condition of setting limiting factors. In the natural trend scenario, the spatial variability of the types is more complex, the boundaries are more fragmented, and the spatial reference value of the territory is lower.


Asunto(s)
Conservación de los Recursos Naturales , Ecosistema , Humanos , Conservación de los Recursos Naturales/métodos , Monitoreo del Ambiente , Simulación por Computador , Desarrollo Económico , China , Ciudades
7.
J Headache Pain ; 24(1): 119, 2023 Sep 01.
Artículo en Inglés | MEDLINE | ID: mdl-37653478

RESUMEN

BACKGROUND: Headache disorders are widely prevalent and pose a considerable economic burden on individuals and society. Globally, misdiagnosis and inadequate treatment of primary headache disorders remain significant challenges, impeding the effective management of such conditions. Despite advancements in headache management over the last decade, a need for comprehensive evaluations of the status of primary headache disorders in China regarding diagnosis and preventative treatments persists. METHODS: In the present study, we analyzed the established queries in the Survey of Fibromyalgia Comorbidity with Headache (SEARCH), focusing on previous diagnoses and preventative treatment regimens for primary headache disorders. This cross-sectional study encompassed adults diagnosed with primary headache disorders who sought treatment at 23 hospitals across China between September 2020 to May 2021. RESULTS: The study comprised 2,868 participants who were systematically examined. Migraine and tension-type headaches (TTH) constituted a majority of the primary headache disorders, accounting for 74.1% (2,124/2,868) and 23.3% (668/2,868) of the participants, respectively. Medication overuse headache (MOH) affected 8.1% (231/2,868) of individuals with primary headache disorders. Over half of the individuals with primary headache disorders (56.6%, 1,624/2,868) remained undiagnosed. The previously correct diagnosis rates for migraine, TTH, TACs, and MOH were 27.3% (580/2,124), 8.1% (54/668), 23.2% (13/56), and 3.5% (8/231), respectively. The misdiagnosis of "Nervous headache" was found to be the most prevalent among individuals with migraine (9.9%, 211/2,124), TTH (10.0%, 67/668), trigeminal autonomic cephalalgias (TACs) (17.9%, 10/56), and other primary headache disorders (10.0%, 2/20) respectively. Only a minor proportion of individuals with migraine (16.5%, 77/468) and TTH (4.7%, 2/43) had received preventive medication before participating in the study. CONCLUSIONS: While there has been progress made in the rate of correct diagnosis of primary headache disorders in China compared to a decade ago, the prevalence of misdiagnosis and inadequate treatment of primary headaches remains a veritable issue. As such, focused efforts are essential to augment the diagnosis and preventive treatment measures related to primary headache disorders in the future.


Asunto(s)
Cefaleas Secundarias , Trastornos Migrañosos , Cefalea de Tipo Tensional , Cefalalgia Autónoma del Trigémino , Adulto , Humanos , Estudios Transversales , Cefalea , Cefalea de Tipo Tensional/diagnóstico , Cefalea de Tipo Tensional/tratamiento farmacológico , Cefalea de Tipo Tensional/epidemiología , China/epidemiología , Cefaleas Secundarias/diagnóstico , Cefaleas Secundarias/epidemiología , Cefaleas Secundarias/prevención & control
8.
Analyst ; 147(10): 2080-2088, 2022 May 17.
Artículo en Inglés | MEDLINE | ID: mdl-35510666

RESUMEN

A simple yet highly effective camphor-derived fluorescent probe named 3-(anthracen-9-ylmethylene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one oxime (ATHO) was developed based on an oxime recognition receptor and anthracene fluorophore. The probe ATHO exhibited a remarkably enhanced fluorescence response to HClO (∼7.2 fold). Meanwhile, this probe exhibited a low detection limit (0.118 µM), ultrafast response time (within seconds), excellent photostability (>260 min), wide linear range (0-180 µM), low probe concentration (2 µM), and high selectivity toward HClO over various interfering species. The sensing mechanism of the probe ATHO for HClO was supported by HRMS analysis and theoretical calculations. Furthermore, the probe ATHO was utilized to quantitatively determine HClO levels in environmental water samples. Additionally, the biological imaging of the probe ATHO for exogenous and endogenous HClO was successfully demonstrated in vitro and in vivo.


Asunto(s)
Colorantes Fluorescentes , Ácido Hipocloroso , Alcanfor , Fluorescencia , Colorantes Fluorescentes/farmacología , Ácido Hipocloroso/análisis , Oximas
9.
Inorg Chem ; 61(32): 12759-12771, 2022 Aug 15.
Artículo en Inglés | MEDLINE | ID: mdl-35914187

RESUMEN

Encapsulation of nano-semiconductor materials in three-dimensional (3D) adsorbents to build a typical semiconductor-adsorbent heterostructure is a forward-looking strategy for photo-assisted uranium extraction. Here, we develop 3D MXene-derived TiO2(M)@reduced graphene oxide (RGO) aerogel for photo-assisted uranium extraction. Theoretical simulations demonstrate that oxygen vacancies on TiO2(M) tailor the energy level structure and enhance the electron accumulation at gap states of TiO2(M), thereby further realizing the spatial separation efficiency of electron-hole pairs by the Schottky junction. By virtue of the in situ X-ray photoelectron spectroscopy spectrum, we identify that photogenerated electrons generated over TiO2(M) were transferred to graphene oxide aerogel by the Schottky junction. Accordingly, TiO2 (M)@RGO aerogel presents a considerable removal efficiency for U(VI) with a removal ratio of 95.7%. Relying on the X-ray absorption spectroscopy technique, we distinguish the evolution of 2H2O-2Oax-U-5Oeq into H2O-2Oax-U-3Oeq from dark to light conditions, further confirming the reduction of high-valent uranium. This strategy may open a paradigm for developing novel heterojunctions as photocatalysts for selective U(VI) extraction.

10.
Macromol Rapid Commun ; 43(2): e2100608, 2022 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-34699661

RESUMEN

Cellulose is the most abundant natural polymer with good biodegradability and biocompatibility. In this paper, a novel fluorescent probe DAC-SD-NA for aluminum (Al3+ ) detection is successfully synthesized based on dialdehyde cellulose (DAC). DAC-SD-NA exhibited a remarkable "turn-on" fluorescence response to Al3+ in a wide pH range, and the fluorescence color of DAC-SD-NA solution turned from colorless to bright blue at the presence of Al3+ . The detection limit for Al3+ is computed to be 6.06×10-7 m. The reaction mechanism of DAC-SD-NA towards Al3+ is confirmed by Job's plot, X-ray photoelectron spectroscopy, and density functional theory (DFT) calculations. In view of DAC-SD-NA exhibited good sensitivity and selectivity, it is applied to detect Al3+ in real water. What's more, DAC-SD-NA-loaded fluorescent hydrogel can serve as a convenient tool for the detection of Al3+ .


Asunto(s)
Colorantes Fluorescentes , Bases de Schiff , Aluminio , Celulosa/análogos & derivados , Espectrometría de Fluorescencia
11.
BMC Ophthalmol ; 22(1): 187, 2022 Apr 22.
Artículo en Inglés | MEDLINE | ID: mdl-35459162

RESUMEN

BACKGROUND: We examined the retinal microvascular changes and associated factors in type 2 diabetes mellitus (T2DM) before and after intensive insulin therapy. METHODS: This prospective observational study recruited patients with T2DM and divided them into intensive insulin therapy and oral hypoglycemic agent groups. All patients enrolled in this study had diabetes without retinopathy or non-proliferative diabetic retinopathy. Optical coherence tomography angiography (OCTA) was used in all patients before treatment and at 1, 3, and 6 months after treatment. Vessel density (VD) and thickness changes in the macular and optic disc areas were assessed. RESULTS: The study included 36 eyes in the intensive insulin therapy group and 36 in the oral hypoglycemic agent group. One month after treatment, VD in the deep capillary plexus (DCP) and peripapillary capillary VD (ppVD) were significantly decreased by intensification (P = 0.009, 0.000). At three months after treatment, decreases in VD induced by intensification were found in the superficial capillary plexus (SCP), DCP, foveal density in a 300-µm-wide region around the foveal avascular area (FD-300), and ppVD (P = 0.032, 0.000, 0.039, 0.000). Six months after treatment, decreases in VD by intensification were observed in the DCP and ppVD groups (P = 0.000, 0.000). Vessel density showed no significant change in the oral hypoglycemic agent group after treatment. The amount of DCP-VD reduction was correlated with macular thickening (r = 0.348, P = 0.038; r = 0.693, P = 0.000 and r = 0.417, P = 0.011, respectively) after intensive insulin therapy. CONCLUSIONS: Insulin-intensive treatment caused a transient reduction in vessel density in the macular and optic disc areas. DCP-VD and ppVD were more susceptible at an earlier stage. Retinal microvasculature monitoring using OCTA is vital for patients with type 2 diabetes receiving intensive insulin therapy.


Asunto(s)
Diabetes Mellitus Tipo 2 , Vasos Retinianos , Diabetes Mellitus Tipo 2/complicaciones , Diabetes Mellitus Tipo 2/tratamiento farmacológico , Angiografía con Fluoresceína/métodos , Humanos , Hipoglucemiantes/uso terapéutico , Insulina/uso terapéutico , Microvasos , Tomografía de Coherencia Óptica/métodos
12.
AAPS PharmSciTech ; 23(1): 61, 2022 Jan 20.
Artículo en Inglés | MEDLINE | ID: mdl-35059926

RESUMEN

The objective of this study was to develop a lappaconitine (LA) transdermal patch with counter-ion to increase the transdermal permeability of the drug, and a theory of counter-ion altering the conformation of the skin keratin was put forward based on the in vitro skin permeation study and physicochemical properties of ion-pairs. Formulation factors including pressure sensitive adhesives (PSAs), drug-loading, counter-ions and molar ratios of counter-ion were screened by in vitro skin permeation study. The optimized formulation was composed of 7% LA, 1.5 mole cinnamic acid and AAOH (PSA containing hydroxyl group synthesized by our laboratory) as an adhesive matrix. The optimized patch was evaluated by the pharmacokinetic and analgesic pharmacodynamic studies. AUC0-t and pain inhibition ratio of the optimized patch were 2450.40 ± 848.52 h ng/mL and 81.18%, which showed good absorption into the skin and excellent analgesic effect. The mechanism of facilitated transdermal drug permeation by counter-ion was investigated by ATR-FTIR, thermal analysis, FTIR, XPS and molecular docking. The results indicated that after the formation of ion-pairs, the excess counter-ions would alter the conformation of the skin keratin, thus increasing the transdermal penetration of LA. In conclusion, the LA patch was successfully optimized, and the effect of counter-ions on the skin was clarified at the molecular level. These findings provided additional references for the application of counter-ion in the transdermal drug delivery system.


Asunto(s)
Queratinas , Absorción Cutánea , Aconitina/análogos & derivados , Iones , Simulación del Acoplamiento Molecular
13.
Environ Monit Assess ; 194(4): 317, 2022 Mar 31.
Artículo en Inglés | MEDLINE | ID: mdl-35355150

RESUMEN

The evolution of land-use spatial conflict is a comprehensive reflection of regional development and a common phenomenon in urbanization. The research on land-use spatial conflicts can provide theoretical basis and practical support for spatial control. The present study employs Tianjin as the research object, and ecological risk assessment model was improved based on landscape pattern analysis by selecting appropriate indicators that may bring conflict risk problems. The spatial conflict measurement model of land-use based on the coordination of human-land-landscape elements was preliminarily constructed. The spatial and temporal evolution of land-use spatial conflict degree, and spatial autocorrelation from 2000 to 2020 was preliminarily analyzed. Results showed that (1) the conflict measurement level of the model was verified by Google Earth remote sensing image platform and field survey, and the results were relatively consistent with the actual situation, which proves that this method was feasible. (2) The areas with low intensity of land-use conflict were mainly distributed in remote mountainous areas with less human activities, while the areas with high comprehensive conflict index were mainly distributed in the central urban area with more active human activities and urbanization, the urban fringe area, the water-land ecotone, and some landscape transition areas. (3) There was a close relationship between land use spatial conflict and land-use change. Areas with severe and frequent land-use changes were often areas with noticeable land-use conflict changes. In the period of high land-use change intensity and frequent land-use mode conversion, it was also a period of a large area where regional land-use conflict was enhanced. (4) The overall level of conflict showed an average trend year by year, and the high conflict fluctuates greatly with first rising and then falling, but the change range was small. Moderate conflict mainly showed a decreasing trend, with an extensive change range. The early stage of the mild conflict was relatively stable, and the later stage changed significantly.


Asunto(s)
Ecosistema , Monitoreo del Ambiente , China , Actividades Humanas , Humanos , Urbanización
14.
Small ; 17(4): e2006279, 2021 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-33373112

RESUMEN

Cs2 SnI6 perovskite displays excellent air stability and a high absorption coefficient, promising for photovoltaic and optoelectronic applications. However, Cs2 SnI6 -based device performance is still low as a result of lacking optimized synthesis approaches to obtain high quality Cs2 SnI6 crystals. Here, a new simple method to synthesize single crystalline Cs2 SnI6 perovskite at a liquid-liquid interface is reported. By controlling solvent conditions and Cs2 SnI6 supersaturation at the liquid-liquid interface, Cs2 SnI6 crystals can be obtained from 3D to 2D growth with controlled geometries such as octahedron, pyramid, hexagon, and triangular nanosheets. The formation mechanisms and kinetics of complex shapes/geometries of high quality Cs2 SnI6 crystals are investigated. Freestanding single crystalline 2D nanosheets can be fabricated as thin as 25 nm, and the lateral size can be controlled up to sub-millimeter regime. Electronic property of the high quality Cs2 SnI6 2D nanosheets is also characterized, featuring a n-type conduction with a high carrier mobility of 35 cm2 V-1 s-1 . The interfacial reaction-controlled synthesis of high-quality crystals and mechanistic understanding of the crystal growth allow to realize rational design of materials, and the manipulation of crystal growth can be beneficial to achieve desired properties for potential functional applications.

15.
Analyst ; 146(23): 7294-7305, 2021 Nov 22.
Artículo en Inglés | MEDLINE | ID: mdl-34749386

RESUMEN

A novel fluorescent probe 2-(4-(diethylamino)-2-hydroxybenzylidene)-N-(2,3,3-trimethylbicyclo[2.2.1]heptan-2-yl)hydrazinecarbothioamide (HT) was prepared in this study by a condensation reaction. HT has been confirmed to possess high specificity toward Ga3+ over other metal ions (including Al3+ and In3+) via a distinct fluorescence light-up response. Moreover, HT exhibited good detection performances for Ga3+ including high selectivity, excellent anti-interference ability, a wide working pH range, and good reversibility. The association constant and limit of detection (LOD) were calculated to be 5.34 × 103 M-1 and 1.18 × 10-6 M, respectively. The detection mechanism of HT toward Ga3+ was proposed and confirmed by 1H NMR analysis, HRMS analysis, and DFT calculations. A simple test strip-based portable detecting device and a molecular INHIBIT logic circuit were established for improving its practical applicability. Furthermore, the desirable sensing performance of HT for Ga3+ was successfully reconfirmed in MCF-7 cells and zebrafish.


Asunto(s)
Colorantes Fluorescentes , Galio , Pez Cebra , Animales , Galio/análisis , Humanos , Hidrazinas , Límite de Detección , Células MCF-7 , Espectrometría de Fluorescencia , Tioamidas
16.
Analyst ; 147(1): 87-100, 2021 Dec 20.
Artículo en Inglés | MEDLINE | ID: mdl-34842861

RESUMEN

A novel dual-functional probe N'-(2-hydroxy-5-((4,7,7-trimethyl-3-oxobicyclo[2.2.1] heptan-2-ylidene)methyl) benzylidene)picolinohydrazide (PSH) was constructed from natural camphor. This probe showed strong yellow-green fluorescence at 535 nm due to its aggregation-induced emission (AIE) feature. Interestingly, the probe PSH displayed a significant turn-on fluorescence response towards Al3+ (green fluorescence at 500 nm) and Zn2+ (orange fluorescence at 555 nm) at two different emissive channels. The detection limits of PSH towards Al3+ and Zn2+ were found to be 12.1 nM and 14.2 nM, respectively. PSH exhibited excellent selectivity and anti-interference performance and could distinguish between Al3+/Zn2+ and identify whether Zn2+ exists in the PSH-Al3+ complex by adding ATP. The binding mechanisms between PSH and Al3+/Zn2+ ions were supported by 1H NMR, HRMS analysis, and density functional theory (DFT) calculations. Based on its outstanding sensing properties, the probe PSH was used to establish molecular logic function gates. Moreover, the probe PSH could be applied to detect Al3+ and Zn2+ in real environmental water, and fluorescence detection was well demonstrated by test strips. Furthermore, the probe PSH was employed for imaging Al3+ and Zn2+ in HeLa cells and zebrafish.


Asunto(s)
Alcanfor , Colorantes Fluorescentes , Animales , Células HeLa , Humanos , Pez Cebra , Zinc
17.
Anal Bioanal Chem ; 413(25): 6267-6277, 2021 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-34355255

RESUMEN

In this work, a novel fluorescent probe CBO was synthesized for detecting Fe2+ using the natural monoterpenketone camphor as the starting material. The probe CBO displayed turn-on fluorescence to Fe2+ accompanied by the solution change from colorless to green. As expected, there was an excellent linear relationship between the fluorescence intensity of probe CBO and the concentration of Fe2+ (0-20 µM), and the detection limit was as low as 1.56×10-8 M. In particular, CBO could selectively sense Fe2+ more than other analytes (Fe3+ included) through the N-oxide strategy, and quickly responded to Fe2+ (60 s) over a wide pH (4-14) range. Additionally, based on the rapid fluorescence response of CBO to Fe2+, a simple test strip-based detector was designed for boosting practical applicability. The probe CBO had been successfully applied to the fluorescence imaging of Fe2+ in onion cells and living zebrafish. The probe CBO was a powerful tool of detecting Fe2+ level in organisms, which was of significance to understand the role of Fe2+ in Fe2+-related physical processes and diseases.


Asunto(s)
Alcanfor/química , Colorantes Fluorescentes/química , Hierro/química , Animales , Concentración de Iones de Hidrógeno , Modelos Moleculares , Estructura Molecular , Cebollas/citología , Sensibilidad y Especificidad , Pez Cebra
18.
Photochem Photobiol Sci ; 19(1): 49-55, 2020 Jan 22.
Artículo en Inglés | MEDLINE | ID: mdl-31793618

RESUMEN

A dual-signal probe PPN based on the natural ß-pinene derivative nopinone was synthesized for the colorimetric detection of Cu2+ and ratiometric detection of Ag+. Upon the addition of Ag+, a significant fluorescence change from blue to green was observed with a low detection limit (0.86 µM). However, upon the addition of Cu2+, a significant color change from colorless to yellow was observed with a low detection limit (0.56 µM). The novel probe PPN was applied as a probe for the colorimetric detection of Cu2+ and ratiometric detection of Ag+ with a high selectivity, good sensitivity and fast response time. The detection mechanisms of probe PPN for Cu2+/Ag+ were confirmed by 1H NMR and HRMS-ESI. Besides, probe PPN could sense Cu2+/Ag+ on test strips. Additionally, probe PPN could be applied to quantitatively detect the concentration of Ag+ in water samples and image Ag+ in living cells.

19.
Analyst ; 145(3): 1033-1040, 2020 Feb 03.
Artículo en Inglés | MEDLINE | ID: mdl-31834331

RESUMEN

A novel fluorescent probe (OFN) based on nopinone for the detection of hypochlorite has been developed. The probe OFN exhibited a colorimetric and ratiometric response to hypochlorite with good selectivity, high sensitivity (the low detection limit is 0.136 µM) and fast response time (30 s). In response to ClO-, an obvious change was observed in both the fluorescence and absorption spectra, followed by the visible color change from colorless to yellow and the fluorescence color change from yellow to green. The sensing mechanism confirmed that the oxime group of OFN was oxidized to the aldehyde group, which was proved by HRMS and 1H NMR. What is more, the probe was used not only to detect the concentration of ClO- in water samples but also for monitoring ClO- in living cells.


Asunto(s)
Hidrocarburos Aromáticos con Puentes/química , Colorimetría/métodos , Colorantes Fluorescentes/química , Ácido Hipocloroso/análisis , Agua/química , Animales , Supervivencia Celular/efectos de los fármacos , Colorantes Fluorescentes/toxicidad , Células HeLa , Humanos , Concentración de Iones de Hidrógeno , Macrófagos/patología , Ratones , Microscopía Confocal , Teoría Cuántica , Células RAW 264.7 , Espectrometría de Fluorescencia
20.
Biol Pharm Bull ; 43(3): 526-532, 2020.
Artículo en Inglés | MEDLINE | ID: mdl-32115511

RESUMEN

Peroxisome proliferator-activated receptor γ (PPARγ), the molecular target for antidiabetic thiazolidinediones (TZDs), is a master regulator of preadipocyte differentiation and lipid metabolism. The adverse side effects of TZDs, arising from their potent agonistic activity, can be minimized by PPARγ partial agonists or PPARγ non-agonists without loss of insulin sensitization. In this study, we reported that WSF-7, a synthetic chemical derived from natural monoterpene α-pinene, is a partial PPARγ agonist. We found that WSF-7 binds directly to PPARγ. Activation of PPARγ by WSF-7 promotes adipogenesis, adiponectin oligomerization and insulin-induced glucose uptake. WSF-7 also inhibits obesity-mediated PPARγ phosphorylation at serine (Ser)273 and improves insulin sensitivity of 3T3-L1 adipocytes. Our study suggested that WSF-7 activates PPARγ transcription by a mechanism different from that of rosiglitazone or luteolin. Therefore, WSF-7 might be a potential therapeutic drug to treat type 2 diabetes.


Asunto(s)
Insulina/metabolismo , Monoterpenos/farmacología , PPAR gamma/agonistas , PPAR gamma/metabolismo , Fosforilación/efectos de los fármacos , Células 3T3-L1 , Adipocitos/efectos de los fármacos , Adiponectina/metabolismo , Animales , Glucosa/metabolismo , Ratones , Monoterpenos/química , Obesidad/metabolismo
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