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1.
Mol Pharm ; 21(9): 4576-4588, 2024 Sep 02.
Artículo en Inglés | MEDLINE | ID: mdl-39163735

RESUMEN

The use of different template surfaces in crystallization experiments can directly influence the nucleation kinetics, crystal growth, and morphology of active pharmaceutical ingredients (APIs). Consequently, templated nucleation is an attractive approach to enhance crystal nucleation kinetics and preferentially nucleate desired crystal polymorphs for solid-form drug molecules, particularly large and flexible molecules that are difficult to crystallize. Herein, we investigate the effect of polymer templates on the crystal nucleation of clotrimazole and ketoprofen with both experiments and computational methods. Crystallization was carried out in toluene solvent for both APIs with a template library consisting of 12 different polymers. In complement to the experimental studies, we developed a computational workflow based on molecular dynamics (MD) and derived descriptors from the simulations to score and rank API-polymer interactions. The descriptors were used to measure the energy of interaction (EOI), hydrogen bonding, and rugosity (surface roughness) similarity between the APIs and polymer templates. We used a variety of machine learning models (14 in total) along with these descriptors to predict the crystallization outcome of the polymer templates. We found that simply rank-ordering the polymers by their API-polymer interaction energy descriptors yielded 92% accuracy in predicting the experimental outcome for clotrimazole and ketoprofen. The most accurate machine learning model for both APIs was found to be a random forest model. Using these models, we were able to predict the crystallization outcomes for all polymers. Additionally, we have performed a feature importance analysis using the trained models and found that the most predictive features are the energy descriptors. These results demonstrate that API-polymer interaction energies are correlated with heterogeneous crystallization outcomes.


Asunto(s)
Clotrimazol , Cristalización , Cetoprofeno , Simulación de Dinámica Molecular , Polímeros , Clotrimazol/química , Cetoprofeno/química , Polímeros/química , Enlace de Hidrógeno , Cinética , Aprendizaje Automático
2.
Anal Bioanal Chem ; 416(14): 3361-3371, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38607383

RESUMEN

The elucidation of disease pathogenesis can be achieved by analyzing the low-abundance phosphopeptides in organisms. Herein, we developed a novel and easy-to-prepare polymer-coated nanomaterial. By improving the hydrophilicity and spatial conformation of the material, we effectively enhanced the adsorption of phosphopeptides and demonstrated excellent enrichment properties. The material was able to successfully enrich the phosphopeptides in only 1 min. Meanwhile, the material has high selectivity (1:2000), good loading capacity (100 µg/mg), excellent sensitivity (0.5 fmol), and great acid and alkali resistance. In addition, the material was applied to real samples, and 70 phosphopeptides were enriched from the serum of Parkinson's disease (PD) patients and 67 phosphopeptides were enriched from the serum of normal controls. Sequences Logo showed that PD is probably associated with threonine, glutamate, serine, and glutamine. Finally, gene ontology (GO) analysis was performed on phosphopeptides enriched in PD patients' serum. The results showed that PD patients expressed abnormal expression of the cholesterol metabolic process and cell-matrix adhesion in the biological process (BP), endoplasmic reticulum and lipoprotein in the cellular component (CC), and heparin-binding, lipid-binding, and receptor-binding in the molecular function (MF) as compared with normal individuals. All the experiments indicate that the nanomaterials have great potential in proteomics studies.


Asunto(s)
Nanoestructuras , Enfermedad de Parkinson , Fosfopéptidos , Polímeros , Enfermedad de Parkinson/sangre , Humanos , Fosfopéptidos/sangre , Polímeros/química , Nanoestructuras/química , Espectrometría de Masa por Láser de Matriz Asistida de Ionización Desorción/métodos
3.
Anal Bioanal Chem ; 416(20): 4491-4501, 2024 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-38877148

RESUMEN

In the present study, click chemistry and Schiff base reactions were simultaneously applied to prepare polymer brush (PEG)-functionalized MOF materials (UiO-66-NH2) and immobilized with Ti4+ (MOF-Brush-THBA-Ti4+) for phosphopeptide analysis. The material has a detection limit of 0.5 fmol, a selectivity of 2000:1, and a loading capacity of 133 mg/g for phosphopeptides. It also demonstrated great repeatability (10 cycles) and recovery rate (96.7 ± 1.4%). During the analysis of bio-samples, 4 specific phosphopeptides were identified in endogenous breast cancer serum, while 11 phosphopeptides were identified in skimmed milk. Moreover, 47 phosphopeptides correlated with 29 phosphorylated proteins were selectively identified from normal control serum, and 66 phosphopeptides correlated with 26 phosphorylated proteins were identified from breast cancer serum. Further analysis of gene ontology (GO) revealed that the detected phosphorylated proteins associated with breast cancer included positive regulation of receptor-mediated endocytosis, proteolysis, extracellular exosome, heparin binding, and chaperone binding. These findings suggest that these associated pathways might contribute to the etiology of breast cancer. Overall, this application exhibits enormous potential in the identification of phosphorylated peptides within bio-samples.


Asunto(s)
Estructuras Metalorgánicas , Leche , Fosfopéptidos , Titanio , Circonio , Humanos , Fosfopéptidos/sangre , Fosfopéptidos/química , Titanio/química , Circonio/química , Estructuras Metalorgánicas/química , Leche/química , Animales , Polímeros/química , Femenino , Neoplasias de la Mama/sangre , Límite de Detección , Espectrometría de Masa por Láser de Matriz Asistida de Ionización Desorción/métodos
4.
Environ Res ; 251(Pt 2): 118303, 2024 Jun 15.
Artículo en Inglés | MEDLINE | ID: mdl-38295978

RESUMEN

A novel intercalated nanocomposite of mercapto-modified cellulose/bentonite (LCS-BE-SH) was synthesized by high-speed shearing method in one step at room temperature, and was applied to remove Cd from solution and remediate Cd-contaminated soil. Results revealed that cellulose long-chain molecules have intercalated into bentonite nanolayers and interlayer spacing was increased to 1.411 nm, and grafting -SH groups improved adsorption selectivity, which enabled LCS-BE-SH to have distinct capability of Cd adsorption (qmax = 147.21 mg/g). Kinetic and thermodynamics showed that Cd adsorption onto LCS-BE-SH was well fitted by pseudo-second-order and Langmuir adsorption isotherm. Characterizations of the adsorbents revealed that synergistic effect of complexation (e.g., CdS, CdO) and precipitation (e.g., Cd(OH)2, CdCO3) mechanism played a major role in Cd removal. In soil remediation, application of LCS-BE-SH was most effective (67.31 %) in Cd immobilization compared to the control (8.85 %), which reduced exchangeable Cd from 37.03 % to 11.44 %. Meanwhile, soil pH, soil organic matter, available phosphorus, and enzyme activities (catalase, urease, and dehydrogenase) were improved LCS-BE-SH treatment. The main immobilization mechanism in soil included complexation (e.g., CdS, CdO) and precipitation (e.g., Cd(OH)2, Cd-Fe-hydroxide). Overall, this work applied a promising approach for Cd removal in aqueous and Cd remediation in soil by using an effective eco-friendly LCS-BE-SH nanocomposites.


Asunto(s)
Bentonita , Cadmio , Celulosa , Restauración y Remediación Ambiental , Nanocompuestos , Contaminantes del Suelo , Bentonita/química , Cadmio/química , Nanocompuestos/química , Contaminantes del Suelo/química , Restauración y Remediación Ambiental/métodos , Celulosa/química , Adsorción
5.
Chemistry ; 29(14): e202202930, 2023 Mar 07.
Artículo en Inglés | MEDLINE | ID: mdl-36484147

RESUMEN

Recently, extensive efforts have been devoted to the development of the second near-infrared bio-window (NIR-II, 1000-1700 nm) theranostic agents owing to the excellent tissue-penetration capability of NIR-II light. The exploration of organic NIR-II photothermal therapy materials, especially those with absorption peak over 1000 nm, is an appealing yet significantly challenging task. Herein, we have designed conjugated polymer nanoparticles (PIS NPs) with NIR-II absorption peak at 1026 nm through a combined strategy of introducing quinoid donor-acceptor (D-A) structures, constructing intramolecular "conformational locks" and extending the conjugation area to narrow the band gap. Irradiated at 1064 nm, PIS NPs showed remarkable photothermal conversion performance for efficient photothermal ablation of tumor cells in vitro and in vivo. This study provides useful insights into the rational design of organic NIR-II photothermal agents based on multiple strategies.


Asunto(s)
Nanopartículas , Terapia Fototérmica , Polímeros/química , Nanopartículas/química , Fenómenos Químicos , Fototerapia , Nanomedicina Teranóstica
6.
Analyst ; 148(19): 4738-4745, 2023 Sep 25.
Artículo en Inglés | MEDLINE | ID: mdl-37646154

RESUMEN

A Ti4+-functionalized magnetic covalent organic framework material with flexible branched polymers (mCOF@ε-PL@THBA-Ti4+) built via an immobilized metal ion affinity chromatography (IMAC) enrichment strategy was proposed through post-synthesis modification. Hydrophilic ε-poly-L-lysine (ε-PL) rich in amino active groups was first introduced in the fabrication of the phosphopeptide enrichment material to increase the hydrophilicity while providing more functional modification pathways of the material. 2,3,4-Trihydroxy-benzaldehyde (THBA) provides abundant binding sites for the immobilization of numerous Ti4+, which is advantageous for the subsequent efficient phosphopeptide enrichment. The magnetic nanocomposite exhibited outstanding performance of phosphopeptide enrichment with good selectivity (1 : 5000), a low detection limit (2 fmol), and relatively high loading capacity (66.7 mg g-1). What's more, after treatment with mCOF@ε-PL@THBA-Ti4+, 16 endogenous phosphopeptides from fresh saliva of healthy people were recognized by MALDI-TOF MS, and 50 phosphopeptides belonging to 35 phosphoproteins from the serum of uremia patients were detected by nano-LC-MS/MS. Proteomics data analysis for the differential protein selection between uremia and normal controls was conducted using R software, and four down-regulated and three up-regulated proteins were obtained. The results suggested that the prepared material has potential applications in biomarker discovery.


Asunto(s)
Nanocompuestos , Polímeros , Humanos , Fosfopéptidos , Titanio , Saliva , Espectrometría de Masas en Tándem , Lisina , Fenómenos Magnéticos
7.
Environ Sci Technol ; 57(26): 9782-9792, 2023 07 04.
Artículo en Inglés | MEDLINE | ID: mdl-37343248

RESUMEN

This study investigated the release of microplastics and nanoplastics from plastic containers and reusable food pouches under different usage scenarios, using DI water and 3% acetic acid as food simulants for aqueous foods and acidic foods. The results indicated that microwave heating caused the highest release of microplastics and nanoplastics into food compared to other usage scenarios, such as refrigeration or room-temperature storage. It was found that some containers could release as many as 4.22 million microplastic and 2.11 billion nanoplastic particles from only one square centimeter of plastic area within 3 min of microwave heating. Refrigeration and room-temperature storage for over six months can also release millions to billions of microplastics and nanoplastics. Additionally, the polyethylene-based food pouch released more particles than polypropylene-based plastic containers. Exposure modeling results suggested that the highest estimated daily intake was 20.3 ng/kg·day for infants drinking microwaved water and 22.1 ng/kg·day for toddlers consuming microwaved dairy products from polypropylene containers. Furthermore, an in vitro study conducted to assess the cell viability showed that the extracted microplastics and nanoplastics released from the plastic container can cause the death of 76.70 and 77.18% of human embryonic kidney cells (HEK293T) at 1000 µg/mL concentration after exposure of 48 and 72 h, respectively.


Asunto(s)
Plásticos , Contaminantes Químicos del Agua , Humanos , Microplásticos , Polipropilenos , Células HEK293 , Contaminantes Químicos del Agua/análisis , Agua
8.
BMC Infect Dis ; 23(1): 42, 2023 Jan 23.
Artículo en Inglés | MEDLINE | ID: mdl-36690957

RESUMEN

BACKGROUND: Coronavirus disease 2019 is a type of acute infectious pneumonia and frequently confused with influenza since the initial symptoms. When the virus colonized the patient's mouth, it will cause changes of the oral microenvironment. However, few studies on the alterations of metabolism of the oral microenvironment affected by SARS-CoV-2 infection have been reported. In this study, we explored metabolic alterations of oral microenvironment after SARS-CoV-2 infection. METHODS: Untargeted metabolomics (UPLC-MS) was used to investigate the metabolic changes between oral secretion samples of 25 COVID-19 and 30 control participants. To obtain the specific metabolic changes of COVID-19, we selected 25 influenza patients to exclude the metabolic changes caused by the stress response of the immune system to the virus. Multivariate analysis (PCA and PLS-DA plots) and univariate analysis (students' t-test) were used to compare the differences between COVID-19 patients and the controls. Online hiplot tool was used to perform heatmap analysis. Metabolic pathway analysis was conducted by using the MetaboAnalyst 5.0 web application. RESULTS: PLS-DA plots showed significant separation of COVID-19 patients and the controls. A total of 45 differential metabolites between COVID-19 and control group were identified. Among them, 35 metabolites were defined as SARS-CoV-2 specific differential metabolites. Especially, the levels of cis-5,8,11,14,17-eicosapentaenoic acid and hexanoic acid changed dramatically based on the FC values. Pathway enrichment found the most significant pathways were tyrosine-related metabolism. Further, we found 10 differential metabolites caused by the virus indicating the body's metabolism changes after viral stimulation. Moreover, adenine and adenosine were defined as influenza virus-specific differential metabolites. CONCLUSIONS: This study revealed that 35 metabolites and tyrosine-related metabolism pathways were significantly changed after SARS-CoV-2 infection. The metabolic alterations of oral microenvironment in COVID-19 provided new insights into its molecular mechanisms for research and prognostic treatment.


Asunto(s)
COVID-19 , Gripe Humana , Humanos , SARS-CoV-2 , Cromatografía Liquida , Espectrometría de Masas en Tándem , Tirosina
9.
Mikrochim Acta ; 191(1): 26, 2023 12 13.
Artículo en Inglés | MEDLINE | ID: mdl-38091130

RESUMEN

A surface-initiated atom transfer radical polymerization method combining click chemistry was employed to prepare a novel porphyrin-based covalent organic framework composite grafted with polymer brushes (TAPBB@GMA@AMA@Cys) for the specific enrichment of N-glycopeptides. The material successfully realized the high efficiency enrichment of N-glycopeptides with good selectivity (1:1000), low detection limit (0.2 fmol/µL), and high loading capacity (133.3 mg·g-1). The TAPBB@GMA@AMA@Cys was successfully applied to actual sample analysis; 235 N-glycopeptides related to 125 glycoproteins and 210 N-glycopeptides related to 121 glycoproteins were recognized from the serum of normal individuals and Alzheimer's disease patients, respectively. Gene ontology studies of molecular functions, cellular components, and biological processes have revealed that identified glycoproteins are strongly associated with neurodegenerative diseases involving innate immune responses, basement membranes, calcium binding, and receptor binding. The above results confirm the surprising potential of materials in glycoproteomics research and practical sample applications.


Asunto(s)
Estructuras Metalorgánicas , Humanos , Estructuras Metalorgánicas/química , Polímeros/química , Glicopéptidos/análisis , Interacciones Hidrofóbicas e Hidrofílicas , Glicoproteínas
10.
J Oral Rehabil ; 50(12): 1456-1464, 2023 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-37702213

RESUMEN

BACKGROUND: This study aimed to analyse the 3D patterns of the mandibular and mental canals (MDC and MC) referring to the surrounding prominent surgical landmarks such as teeth and mental foramen by cone beam computed tomography (CBCT). METHODS: CBCT scans of 354 patients aged 18-67 years with mandibular first premolar to second molar were included and reconstructed 3-dimensionally (3D) by mimics. The parameters of MDC and MC were measured referring to teeth and mental foramen. RESULTS: From the first premolars to the second molars, the mandibular canals showed a trend of gradually closer to the cementoenamel junction (CEJ) of the adjacent teeth and farther away from the buccal cortical plate. The distance of the MDC with the root apexes (RA) was relatively constant from the first premolar to the first molar, but became much closer to the second molar. About 10.8% of the second molars had MDC-RA distances of shorter than 2 mm, and 1.34% even had the MDC superior to the RA. Moreover, the Type III of MC presented in 66.0% of the subjects and had a relatively longer length. Besides, the existence of Type I MC may be related to the MDC featuring with close distances to the RA and CEJ of the adjacent teeth. CONCLUSION: Dentists and surgeons should know the patterns of mandibular and mental canals. A better understanding of the MDC and MC and their relationship to local anatomical landmarks may facilitate the planning of surgeries and alert potential nerve injuries in the operative procedures.


Asunto(s)
Foramen Mental , Humanos , Canal Mandibular , Mandíbula/diagnóstico por imagen , Diente Molar/diagnóstico por imagen , Tomografía Computarizada de Haz Cónico/métodos , Raíz del Diente
11.
Int J Mol Sci ; 24(22)2023 Nov 09.
Artículo en Inglés | MEDLINE | ID: mdl-38003310

RESUMEN

N6-methyladenosine (m6A) is the most abundant RNA modification, regulating gene expression in physiological processes. However, its effect on the osteogenic differentiation of dental follicle stem cells (DFSCs) remains unknown. Here, m6A demethylases, the fat mass and obesity-associated protein (FTO), and alkB homolog 5 (ALKBH5) were overexpressed in DFSCs, followed by osteogenesis assay and transcriptome sequencing to explore potential mechanisms. The overexpression of FTO or ALKBH5 inhibited the osteogenesis of DFSCs, evidenced by the fact that RUNX2 independently decreased calcium deposition and by the downregulation of the osteogenic genes OCN and OPN. MiRNA profiling revealed that miR-7974 was the top differentially regulated gene, and the overexpression of m6A demethylases significantly accelerated miR-7974 degradation in DFSCs. The miR-7974 inhibitor decreased the osteogenesis of DFSCs, and its mimic attenuated the inhibitory effects of FTO overexpression. Bioinformatic prediction and RNA sequencing analysis suggested that FK506-binding protein 15 (FKBP15) was the most likely target downstream of miR-7974. The overexpression of FKBP15 significantly inhibited the osteogenesis of DFSCs via the restriction of actin cytoskeleton organization. This study provided a data resource of differentially expressed miRNA and mRNA after the overexpression of m6A demethylases in DFSCs. We unmasked the RUNX2-independent effects of m6A demethylase, miR-7974, and FKBP15 on the osteogenesis of DFSCs. Moreover, the FTO/miR-7974/FKBP15 axis and its effects on actin cytoskeleton organization were identified in DFSCs.


Asunto(s)
MicroARNs , Osteogénesis , Subunidad alfa 1 del Factor de Unión al Sitio Principal/metabolismo , Saco Dental/metabolismo , Células Cultivadas , Diferenciación Celular/genética , MicroARNs/metabolismo , Células Madre/metabolismo
12.
Int J Mol Sci ; 24(2)2023 Jan 16.
Artículo en Inglés | MEDLINE | ID: mdl-36675284

RESUMEN

The preparation of adsorbents with eco-friendly and high-efficiency characteristics is an important approach for pollutant removal, and can relieve the pressure of water shortage and environmental pollution. In recent studies, much attention has been paid to the potential of hydrothermal carbonization (HTC) from biomass, such as cellulose, hemicellulose, lignin, and agricultural waste for the preparation of adsorbents. Hereby, this paper summarizes the state of research on carbon adsorbents developed from various sources with HTC. The reaction mechanism of HTC, the different products, the modification of hydrochar to obtain activated carbon, and the treatment of heavy metal pollution and organic dyes from wastewater are reviewed. The maximum adsorption capacity of carbon from different biomass sources was also evaluated.


Asunto(s)
Aguas Residuales , Contaminantes Químicos del Agua , Biomasa , Colorantes , Celulosa , Adsorción , Temperatura
13.
BMC Oral Health ; 23(1): 391, 2023 06 14.
Artículo en Inglés | MEDLINE | ID: mdl-37316782

RESUMEN

OBJECTIVE: To evaluate the clinical outcomes of the "Root Removal First" strategy in the surgical removal of impacted mandibular third molar (IMTM) in the class C and horizontal position. MATERIALS AND METHODS: A total of 274 cases were finally included in the statistics. The positions of IMTM in the horizontal position were confirmed by cone-beam computed tomography (CBCT). Cases were randomly divided into two groups: the "Root Removal First" strategy was applied in the new method (NM) group, and the conventional "Crown Removal First" strategy was executed in the traditional method (TM) group. The clinical information and relevant data upon follow-up were recorded. RESULTS: The duration of the surgical removal and the incidence rates of lower lip paresthesia in the NM group were significantly lower than those in the TM group. The degree of mobility of the adjacent mandibular second molar (M2) in the NM group was significantly lower than that in the TM group at 30 days and 3 months post-operation. The distal and buccal probing depth of the M2, as well as the exposed root length of M2 in the NM group, were significantly lower than those in the TM group 3 months post-operation. CONCLUSIONS: The "Root Removal First" strategy can reduce the incidence rate of inferior alveolar nerve injury and periodontal complications of the M2 in the surgical removal of IMTM in class C and horizontal position with high efficiency. TRIAL REGISTRATION: ChiCTR2000040063.


Asunto(s)
Tercer Molar , Diente Impactado , Humanos , Tercer Molar/cirugía , Complicaciones Posoperatorias/prevención & control , Apicectomía , Atención Odontológica , Diente Impactado/cirugía , Diente Molar
14.
BMC Oral Health ; 23(1): 900, 2023 11 21.
Artículo en Inglés | MEDLINE | ID: mdl-37990212

RESUMEN

BACKGROUND: The prevalence of oral diseases among Taiwanese prisoners has rarely been investigated. This study aimed to estimate the gender-specific prevalence of oral disease in a sample of Taiwanese prisoners. METHODS: We included 83,048 participants from the National Health Insurance (NHI) Program. Outcomes were measured using the clinical version of the International Classification of Diseases, Ninth Revision (ICD-9-CM). For prevalence, we provide absolute values and percentages. We also performed a χ2 test to assess sex and age group differences in the percentage of disease in the oral cavity, salivary glands, and jaw. RESULTS: The prevalence rate of oral diseases was 25.90%, which was higher than that of the general population. The prevalence of oral diseases in female prisoners was higher than that in male prisoners (p < 0.001), and the prevalence of oral diseases in prisoners aged ≤ 40 was higher than that of prisoners aged > 40. Among all cases of diagnosed oral diseases, the top three diseases were dental hard tissue diseases (13.28%), other cellulitis and abscesses (9.79%), and pruritus and related conditions (2.88%), respectively. The prevalence of various oral diseases in female prisoners was significantly higher than that in male prisoners. CONCLUSION: Oral disease is common among Taiwanese prisoners. Female prisoners had a higher prevalence of oral, salivary gland, and jaw diseases than male prisoners. Therefore, early prevention and appropriate treatment are required and also a need for gender-specific oral disease products given the differences in the prevalence of oral disease among male and female prisoners.


Asunto(s)
Salud Bucal , Prisioneros , Humanos , Masculino , Femenino , Estudios Transversales , Factores Sexuales , Taiwán/epidemiología , Prevalencia
15.
Biodegradation ; 33(4): 317-331, 2022 08.
Artículo en Inglés | MEDLINE | ID: mdl-35522400

RESUMEN

Up to date, the intrinsic association of nitrate loading rate (NLR) with treatment performance of solid-phase denitrification (SPD) systems is still ambiguous. To address this issue, three continuous up-flow bioreactors were configured. They were packed with polycaprolactone (PCL) under a filling ratio of 30%, 60% or 90% and were operated under a varying NLR of 0.34 ± 0.01-3.99 ± 0.12 gN/(L·d). Results showed that the denitrification efficiency was high (RE > 96%) and stable except the case with the highest NLR, which was mainly attributed to the lack of available carbon sources. At the phylum or genus level, most of the detected dominant bacterial taxa were either associated with organics degradation or nitrogen metabolism. The difference in bacterial community structure among the three stages was mainly caused by NLR rather than the filling ratio. Moreover, as the NLR got higher, the Bray-Curtis distance between samples from the same stage became shorter. By the results of gene or enzyme prediction performed in PICRUSt2, the main nitrogen metabolism pathways in these reactors were denitrification, dissimilatory nitrate reduction to ammonium (DNRA), assimilatory nitrate reduction to ammonium (ANRA) and nitrogen fixation. Moreover, aerobic and anaerobic nitrate dissimilation coexisted in the systems with the latter playing a dominant role. Finally, denitrification and DNRA occurred under both high and low NLR conditions while nitrogen fixation and ANRA preferred to occur under low NLR environments. These findings might help guide practical applications.


Asunto(s)
Compuestos de Amonio , Nitratos , Biodegradación Ambiental , Desnitrificación , Nitratos/análisis , Nitrógeno/química , Oxidación-Reducción , Poliésteres
16.
Mikrochim Acta ; 189(9): 330, 2022 08 15.
Artículo en Inglés | MEDLINE | ID: mdl-35969309

RESUMEN

A guanidine-functionalized (GF) covalent organic framework (COF) nanocomposite has been developed by a post-synthetic approach for specific capture and separation of phosphopeptides and exosomes. The abundant binding sites on COF can immobilize a large number of gold nanoparticles (AuNPs), which can be used to react with amino groups to graft polyethyleneimine (PEI). Finally, Fe3O4@COF@Au@PEI-GF is obtained through the reaction of PEI and guanidyl group for phosphopeptides and exosomes detection. This composite shows a low detection limit (0.02 fmol), size exclusion effect (ß-casein digests:Albumin from bovine serum protein = 1:10,000), good reusability (10 cycles), and high selectivity (ß-casein digests:Albumin from bovine serum digests = 1:10,000). For complex biological sample, 4 phosphopeptides can be successfully identified from human serum. Furthermore, for the first time, we used guanidyl-functionalized probe to capture exosomes in human serum, providing a new method for enriching exosomes. The above experiments showed that Fe3O4@COF@Au@PEI-GF not only effectively enrich phosphopeptides and remove macromolecular proteins, but also successfully separate and capture exosomes. This demonstrates the great potential of this composite for the specific enrichment of phosphopeptides and isolation of exosomes.


Asunto(s)
Exosomas , Nanopartículas del Metal , Estructuras Metalorgánicas , Albúminas , Caseínas/química , Oro , Humanos , Fenómenos Magnéticos , Estructuras Metalorgánicas/química , Fosfopéptidos , Polietileneimina
17.
Mikrochim Acta ; 189(8): 304, 2022 08 01.
Artículo en Inglés | MEDLINE | ID: mdl-35915355

RESUMEN

Identifying the progress of kidney injury may aid the effective treatment and intervention. Herein, we developed a fluorescent biosensor array for instantaneous and accurate identification of the kidney injury progression via "doubled" signals. The multichannel biosensor array consisted of polydopamine-polyethyleneimine (PDA-PEI) and multicolor-labelled different length of DNAs including AAAAA-Cyanine7 (5A-Cy7), AAAAAAAAAA-Texas Red (10A-Texas Red), and AAAAAAAAAAAAAAAAAAAA-VIC (20A-VIC). Facing to the variety of protein in urine with alterable charge accompanied with different progress of kidney injury, the composition of urine replaces the DNA signal molecules, forming their special fluorescence patterns. Taking the size of protein into consideration, the original three variables induced by the protein charge were extended to six variables induced by the two factors of protein particle size and charge difference, which could provide a more accurate strategy to identify the progress of kidney injury. Notably, this strategy not only opened up new perspective for identification the progress of kidney injury via the size and charge of urine protein, but also improved the resolving power of sensor array by increasing the number of sensor elements for extending their potential application to various diseases.


Asunto(s)
Técnicas Biosensibles , Colorantes Fluorescentes , Riñón , Polietileneimina , Proteínas
18.
Clin Oral Investig ; 26(11): 6629-6637, 2022 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-35881240

RESUMEN

OBJECTIVE: Successful application of deep machine learning could reduce time-consuming and labor-intensive clinical work of calculating the amount of radiographic bone loss (RBL) in diagnosing and treatment planning for periodontitis. This study aimed to test the accuracy of RBL classification by machine learning. MATERIALS AND METHODS: A total of 236 patients with standardized full mouth radiographs were included. Each tooth from the periapical films was evaluated by three calibrated periodontists for categorization of RBL and radiographic defect morphology. Each image was pre-processed and augmented to ensure proper data balancing without data pollution, then a novel multitasking InceptionV3 model was applied. RESULTS: The model demonstrated an average accuracy of 0.87 ± 0.01 in the categorization of mild (< 15%) or severe (≥ 15%) bone loss with fivefold cross-validation. Sensitivity, specificity, positive predictive, and negative predictive values of the model were 0.86 ± 0.03, 0.88 ± 0.03, 0.88 ± 0.03, and 0.86 ± 0.02, respectively. CONCLUSIONS: Application of deep machine learning for the detection of alveolar bone loss yielded promising results in this study. Additional data would be beneficial to enhance model construction and enable better machine learning performance for clinical implementation. CLINICAL RELEVANCE: Higher accuracy of radiographic bone loss classification by machine learning can be achieved with more clinical data and proper model construction for valuable clinical application.


Asunto(s)
Pérdida de Hueso Alveolar , Aprendizaje Profundo , Periodontitis , Humanos , Aprendizaje Automático , Radiografía , Periodontitis/diagnóstico por imagen , Pérdida de Hueso Alveolar/diagnóstico por imagen
19.
J Orthop Sci ; 27(1): 79-83, 2022 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-33158733

RESUMEN

BACKGROUND: The study aimed to identify the risk factors of cement leakage following percutaneous vertebroplasty for spinal metastases. METHODS: 230 consecutive patients with 530 vertebrae were retrospectively reviewed. Characteristics including age, primary cancer, location, pathological fracture, the integrity of the posterior wall, and the volume of bone cement were considered as potential risk factors. Cement leakage was evaluated by postoperative imaging examination and classified into three subtypes with different potential sequelae: spinal canal leakage, intravascular leakage around vertebrae, intradiscal and paravertebral leakage. Univariate and multivariate analyses were used to assess the risk factors. RESULTS: Leakage was detected in 185 vertebrae (34.9%), 18.3% for intradiscal and paravertebral, 13.2% for intravascular around vertebrae, and 7.0% for spinal canal. Multivariate analysis showed that incomplete posterior wall (P = 0.001) and breast cancer (P = 0.015) were strong predictive factors for spinal canal leakage, incomplete posterior wall (P = 0.024) was for intravascular leakage around vertebrae, thoracic (P = 0.010) and pathological fracture (P = 0.000) were for intradiscal and paravertebral leakage. CONCLUSIONS: Our findings suggest that cement leakage is common following percutaneous vertebroplasty for spinal metastases. The incomplete posterior wall is an unfavourable factor for intravascular leakage around vertebrae. Vertebrae with incomplete posterior wall and breast cancer metastases are more likely to develop spinal canal leakage.


Asunto(s)
Fracturas por Compresión , Fracturas de la Columna Vertebral , Neoplasias de la Columna Vertebral , Vertebroplastia , Cementos para Huesos , Humanos , Estudios Retrospectivos , Factores de Riesgo , Fracturas de la Columna Vertebral/diagnóstico por imagen , Fracturas de la Columna Vertebral/etiología , Fracturas de la Columna Vertebral/cirugía , Neoplasias de la Columna Vertebral/diagnóstico por imagen , Neoplasias de la Columna Vertebral/cirugía , Vertebroplastia/efectos adversos
20.
BMC Oral Health ; 22(1): 81, 2022 03 19.
Artículo en Inglés | MEDLINE | ID: mdl-35305642

RESUMEN

BACKGROUND: The patients of bialveolar protrusion always demonstrate thin anterior alveoli which may aggravate subsequent gingival recession and bone loss during retraction. This study aimed to investigate the periodontal changes, including alveolar height, thickness, and area, and the width of keratinized gingiva, in mandibular anterior teeth after augmented corticotomy-assisted orthodontics (ACAO) compared with traditional orthodontics. METHODS: Twenty adult patients with skeletal class I bialveolar protrusion were selected from two groups: ACAO group (augmented corticotomy on the labial side of the anterior mandibular teeth, n = 10) and control group (conventional orthodontics, n = 10). In all patients, four first premolars were extracted and the incisors were retracted under the maximum anchorage. The measurements included the labial alveolar bone area, vertical alveolar bone height, alveolar bone thickness surrounding the mandibular anterior teeth, root length, gingival recession and width of keratinized gingiva after alignment (T0) and 3 months after space closure (T1). RESULTS: The labial alveolar height, area, and thicknesses all decreased after space closure in the control group but significantly increased in the ACAO group. The decrease in the lingual alveolar height was statistically less in the ACAO group than that in the control group. Besides, the width of keratinized gingiva increased in the ACAO group but decreased in the control group. There was no significant difference in the changes of root length between groups. The dentoalveolar changes between anterior teeth were consistent but with different scales. The lateral incisors gained the most labial bone height and area. CONCLUSION: Compared to conventional orthodontics, ACAO provided a more favorable effect of improving periodontal status surrounding the mandibular anterior teeth for Class I maxillary protrusion patients.


Asunto(s)
Ortodoncia , Adulto , Diente Premolar/cirugía , Tomografía Computarizada de Haz Cónico , Humanos , Incisivo , Maxilar
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