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1.
Se Pu ; 42(9): 875-880, 2024 Sep.
Artículo en Chino | MEDLINE | ID: mdl-39198946

RESUMEN

Ion exchange chromatography-tandem mass spectrometry (IEC-MS/MS) has recently become the preferred method for detecting ionic substances in tea. In this study, an IEC-MS/MS method was developed for the rapid determination of chlorate and perchlorate residues in tea samples. The optimal sample extraction process, pretreatment column, and chromatographic and mass spectrometric conditions were systematically investigated. In the optimal process, the tea samples were ultrasonically extracted with methanol-water (13∶7, v/v), and a PRiME HLB SPE column was used to purify the sample extract. An AceChrom Hybri-A IEC column (150 mm×2.1 mm, 5.0 µm) was used for separation, and 100 mmol/L ammonium acetate-acetonitrile (40∶60, v/v) was used as the mobile phase for isocratic elution. The flow rate was 0.3 mL/min, the column temperature was 40 ℃, and the injection volume was 5.0 µL. The mass spectrometric data were collected in negative electrospray ionization mode combined with multiple reaction monitoring (MRM) mode to achieve the rapid and accurate separation and qualitative analysis of the desired chemical components. Quantification was performed using the internal standard (IS) method. The measurement results showed a good linear relationship when the mass concentrations of chlorate and perchlorate were between 2.00-200 and 1.00-100 µg/L, respectively, with correlation coefficients (r2) greater than 0.9990. The average recoveries of chlorate and perchlorate at three spiked levels of low, medium, and high ranged from 88.54% to 97.25% with relative standard deviations (RSDs, n=7) of 3.2%-5.2%. The limits of detection for chlorate and perchlorate were 12.0 and 8.0 µg/kg, respectively, while the limits of quantification were 40.0 and 26.6 µg/kg, respectively. The results of tests conducted to assess the linearity, specificity, accuracy, precision, and applicability of the method to the analysis of chlorate and perchlorate in 15 tea samples collected from a local market demonstrated its validity for the routine analysis of tea samples. The proposed method is simple, rapid, sensitive, and accurate, and can meet requirements for the rapid screening and quantitative analysis of residual trace chlorate and perchlorate in large quantities of tea samples.


Asunto(s)
Cloratos , Contaminación de Alimentos , Percloratos , Espectrometría de Masas en Tándem , , Percloratos/análisis , Espectrometría de Masas en Tándem/métodos , Cromatografía por Intercambio Iónico/métodos , Cloratos/análisis , Té/química , Contaminación de Alimentos/análisis
2.
Langmuir ; 2024 Aug 22.
Artículo en Inglés | MEDLINE | ID: mdl-39172386

RESUMEN

Magnetic polymer microspheres have been extensively utilized as separable and highly efficient adsorbents in wastewater treatment. In this study, a series of novel magnetic spongy porous carbon skeleton materials (Mag-SPCS) have been designed and synthesized by acetonitrile suspension precipitation polymerization, which combines the advantages of the acetonitrile precipitation method and the suspension polymerization method. It was demonstrated that the transformation of the material morphology from microspheres to a porous sponge was achieved by a gradual decrease in the usage amount of ethylene glycol. After N,N-dimethyloctadecylamine (C18) was grafted onto the Mag-SPCS materials, the C18-Mag-SPCS materials with a superhigh saturation adsorption capacity and superfast adsorption efficiency were used for the removal of BTEX (toluene, benzene, and para-xylene) in wastewater. Subsequently, the adsorption properties of the composites with different morphologies were evaluated, and the effect of the usage amount of C18 on the adsorption properties of the C18-Mag-SPCS was further investigated. The maximum adsorption capacities of C18-Mag-SPCS for benzene, toluene, and para-xylene were 714.84, 564.32, and 394.48 mg/g, respectively. The adsorption process was conducted in accordance with the proposed secondary and Langmuir models. Finally, the FTIR, XPS, and XRD characterization results before and after adsorption demonstrated that the adsorption mechanism of toluene onto C18-Mag-SPCS was primarily hydrogen bonding, π-π stacking, and van der Waals forces. These findings of the study indicate that the composite material exhibits an ultrahigh saturation adsorption capacity and ultrafast adsorption efficiency, thereby confirming its considerable potential for application in wastewater treatment.

3.
Molecules ; 29(15)2024 Aug 02.
Artículo en Inglés | MEDLINE | ID: mdl-39125079

RESUMEN

A novel magnetic nanomaterial with Fe3O4 as the core, PS-DVB as the shell layer, and the surface modified with C18 (C18-PS-DVB-Fe3O4) had been synthesized by seeded emulsion polymerization. C18-PS-DVB-Fe3O4 retains the advantages of the chemical stability, large porosity, and uniform morphology of organic polymers and has the magnetic properties of Fe3O4. A simple, flexible, and efficient magnetic dispersive solid phase extraction (Mag-dSPE) method for the extraction of preservatives, sweeteners, and colorants in river water was established. C18-PS-DVB-Fe3O4 was used as an adsorbent for Mag-dSPE and was coupled with high-performance liquid chromatography (HPLC) to detect 11 food additives: acesulfame, amaranth, benzoic acid, tartrazine, saccharin sodium, sorbic acid, dehydroacetic acid, sunset yellow, allura red, brilliant blue, and erythrosine. Under the optimum extraction conditions, combined with ChromCoreTMAQC18 (5 µm, 4.6 × 250 mm), 20 mmol/L ammonium acetate aqueous solution and methanol were used as mobile phases, and the detection wavelengths were 240 nm and 410 nm. The limits of detection (LODs) of 11 food additives were 0.6-3.1 µg/L with satisfactory recoveries ranging from 86.53% to 106.32%. And the material could be reused for five cycles without much sacrifice of extraction efficiency. The proposed method has been used to determine food additives in river water samples, and results demonstrate the applicability of the proposed C18-PS-DVB-Fe3O4 Mag-dSPE coupled with the HPLC method to environment monitoring analysis.

4.
Phys Chem Chem Phys ; 26(31): 21052-21060, 2024 Aug 07.
Artículo en Inglés | MEDLINE | ID: mdl-39054907

RESUMEN

In this work, a mixed precursor solvent system comprising isopropyl alcohol (IPA) and 2-methoxy ethanol (MOE) is introduced for the fabrication of Cu2ZnSn(S, Se)4 (CZTSSe) thin films under ambient conditions. The effects of different IPA/(MOE + IPA) ratios on the characteristics of CZTSSe films and the corresponding devices were investigated. Our research results indicate that the addition of IPA enhances the wettability of Cu-Zn-Sn-S precursor solution on the substrate, reduces Sn loss in the film during high-temperature annealing, and diminishes band tail states. Additionally, adding IPA leads to effective enlargement of grain size, improved crystallinity, and enhanced light absorption. However, excessive content of IPA negatively impacts CZTSSe film properties and the device's performance. Notably, when substituting 20% of MOE with IPA, the short-circuit current density (JSC) increased from 30.84 mA cm-2 to 35.55 mA cm-2 in the resulting CZTSSe device, and the efficiency improved from 9.19% to 10.63%. This work provides a new method of a solvent system for preparing efficient kesterite-based solar cells.

5.
Front Endocrinol (Lausanne) ; 15: 1403858, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-39010899

RESUMEN

Background: Hyperuricemia (HUA) is a glo\bal public health problem. The etiology of HUA is complex and efficient and accurate assessment metrics are still lacking when conducting large-scale epidemiologic screening. The aim of this study was to evaluate the association of the triglyceride glucose (TyG) index, TyG-body mass index (BMI), TyG-waist-to-height ratio (WHtR) with the risk of HUA. Methods: Based on data collected from the National Health and Nutrition Examination Survey (NHANES) in the United States and the China Health and Aging Longitudinal Study (CHARLS) in China, a total of 14,286 U.S. adults and 4,620 Chinese adults were included in the analysis. The study examined the levels of TyG, TyG-BMI, TyG-WHtR, and TyG-WC. Multivariate logistic regression was utilized to investigate the relationships between these variables and hyperuricemia (HUA), separately. Additionally, the study used restricted cubic splines (RCS) to explore the linear associations of TyG, TyG-BMI, TyG-WHtR, TyG-WC, and HUA, separately. Results: The NHANES results showed that TyG [Q2, 1.58(1.26, 1.98); Q3, 2.36 (1.94, 2.88); Q4, 3.21 (2.61, 3.94)], TyG-BMI [Q2, 2.14 (1.74, 2.65); Q3, 3.38 (2.74, 4.17); Q4, 6.70 (5.55, 8.02)], TyG-WHtR [Q2, 1.92 (1.56, 2.36); Q3, 3.14 (2.56, 3.85); Q4, 6.28 (5.12, 7.69)], TyG-WC [Q2, 2.32 (1.85, 2.90); Q3, 3.51 (2.84, 4.34); Q4, 7.32 (5.95, 9.02)] were identified as risk factors for hyperuricemia (HUA). Similarly, the CHARLS results, when fully adjusted for covariates, indicated that TyG [Q4, 2.36 (1.08, 5.15)], TyG-BMI [Q3, 2.60 (1.05, 6.41); Q4, 3.70 (1.64, 8.32)], TyG-WHtR (Q4, 2.84 (1.23, 6.55), TyG-WC [Q4, 2.85 (1.23, 6.5)] were also risk factors for HUA. The predictive ability of each indicator for the risk of developing HUA was stronger in women than in men. Furthermore, there was an observed nonlinear relationship between TyG, TyG-BMI, TyG-WHtR, TyG-WC, and HUA in both the NHANES and CHARLS datasets (P-nonlinearity < 0.05). Conclusion: These findings suggest that TyG, TyG-BMI, TyG-WHtR and TyG-WC are associated with an increased risk of HUA. They are potential indicators for screening HUA status in the general population in China and the United States.


Asunto(s)
Glucemia , Índice de Masa Corporal , Hiperuricemia , Encuestas Nutricionales , Triglicéridos , Humanos , Hiperuricemia/sangre , Hiperuricemia/epidemiología , Hiperuricemia/diagnóstico , China/epidemiología , Masculino , Femenino , Triglicéridos/sangre , Estados Unidos/epidemiología , Persona de Mediana Edad , Adulto , Glucemia/análisis , Anciano , Estudios Longitudinales , Factores de Riesgo
6.
J Environ Manage ; 366: 121807, 2024 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-39025011

RESUMEN

The removal of various pollutants from water is necessary due to the increasing requirements for the removal of various pollutants from wastewater and the quality of drinking water. Polymer microspheres are regarded as exemplary adsorbent materials due to their high adsorption efficiency, excellent adsorption performance, and ease of handling. Herein, the advantages and disadvantages of different preparation methods, modifications, applications and the current research status of polymer microspheres are summarized at large. Furthermore, the enhanced performance of modified composite microspheres is emphasized, including adsorption efficiency, thermal stability, and significant improvements in physical and chemical properties. Subsequently, the current applications and potential of polymeric microspheres for wastewater treatment, including the removal of inorganic and organic pollutants, heavy metal ions, and other contaminants are summarized. Finally, future research directions for polymer microspheres are proposed, outlining the challenges and solutions associated with the application of polymer microspheres in wastewater treatment.


Asunto(s)
Microesferas , Polímeros , Aguas Residuales , Contaminantes Químicos del Agua , Purificación del Agua , Polímeros/química , Aguas Residuales/química , Purificación del Agua/métodos , Adsorción , Contaminantes Químicos del Agua/química , Metales Pesados/química , Eliminación de Residuos Líquidos/métodos
7.
Bioact Mater ; 40: 168-181, 2024 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-38910968

RESUMEN

Bone, renowned for its elegant hierarchical structure and unique mechanical properties, serves as a constant source of inspiration for the development of synthetic materials. However, achieving accurate replication of bone features in artificial materials with remarkable structural and mechanical similarity remains a significant challenge. In this study, we employed a cascade of continuous fabrication processes, including biomimetic mineralization of collagen, bidirectional freeze-casting, and pressure-driven fusion, to successfully fabricate a macroscopic bulk material known as artificial compact bone (ACB). The ACB material closely replicates the composition, hierarchical structures, and mechanical properties of natural bone. It demonstrates a lamellated alignment of mineralized collagen (MC) microfibrils, similar to those found in natural bone. Moreover, the ACB exhibits a similar high mineral content (70.9 %) and density (2.2 g/cm3) as natural cortical bone, leading to exceptional mechanical properties such as high stiffness, hardness, and flexural strength that are comparable to those of natural bone. Importantly, the ACB also demonstrates excellent mechanical properties in wet, outstanding biocompatibility, and osteogenic properties in vivo, rendering it suitable for a broad spectrum of biomedical applications, including orthopedic, stomatological, and craniofacial surgeries.

8.
J Chromatogr A ; 1725: 464962, 2024 Jun 21.
Artículo en Inglés | MEDLINE | ID: mdl-38704923

RESUMEN

Because of the "enterohepatic circulation" of bile acid, liver damage can be reflected by monitoring the content of bile acid in the serum of the organism. To monitor the concentration of 15 bile acids in plasma samples, a new technique of PRiME (process, ruggedness, improvement, matrix effect, ease of use) pass-through cleanup procedure combined with high performance liquid chromatography-tandem quadrupole mass spectrometry (HPLC-MS/MS) was developed. The sorbent used in the PRiME pass-through cleanup procedure is a new type of magnetic organic resin composite nano-material modified by C18 (C18-PS-DVB-GMA-Fe3O4), which has high cleanup efficiency of plasma samples. It also shows good performance in the separation and analysis of 15 kinds of bile acids. Under the optimal conditions, the results show higher cleanup efficiency of C18-PS-DVB-GMA-Fe3O4 with recoveries in the range of 82.1-115 %. The limit of quantitative (LOQs) of 15 bile acids were in the range of 0.033 µg/L-0.19 µg/L, and the RSD values of 15 bile acids were in the range of 3.00-11.9 %. Validation results on linearity, specificity, accuracy and precision, as well as on the application to analysis of 15 bile acids in 100 human plasma samples demonstrate the applicability to clinical studies.


Asunto(s)
Ácidos y Sales Biliares , Límite de Detección , Nanocompuestos , Espectrometría de Masas en Tándem , Humanos , Ácidos y Sales Biliares/sangre , Ácidos y Sales Biliares/química , Espectrometría de Masas en Tándem/métodos , Nanocompuestos/química , Cromatografía Líquida de Alta Presión/métodos , Reproducibilidad de los Resultados , Polímeros/química , Nanopartículas de Magnetita/química
9.
Sci Adv ; 10(14): eadj8379, 2024 Apr 05.
Artículo en Inglés | MEDLINE | ID: mdl-38579008

RESUMEN

Magnetic tunnel junctions (MTJs) are the core element of spintronic devices. Currently, the mainstream writing operation of MTJs is based on electric current with high energy dissipation, and it can be notably reduced if an electric field is used instead. In this regard, it is promising for electric field control of MTJ in the multiferroic heterostructure composed of MTJ and ferroelectrics via strain-mediated magnetoelectric coupling. However, there are only reports on MTJs with in-plane anisotropy so far. Here, we investigate electric field control of the resistance state of MgO-based perpendicular MTJs with easy-cone anisotropic free layers through strain-mediated magnetoelectric coupling in multiferroic heterostructures. A remarkable, nonvolatile, and reversible modulation of resistance at room temperature is demonstrated. Through local reciprocal space mapping under different electric fields for Pb(Mg1/3Nb2/3)0.7Ti0.3O3 beneath the MTJ pillar, the modulation mechanism is deduced. Our work represents a crucial step toward electric field control of spintronic devices with non-in-plane magnetic anisotropy.

10.
Sci Adv ; 10(16): eadl4633, 2024 Apr 19.
Artículo en Inglés | MEDLINE | ID: mdl-38640249

RESUMEN

Magnetic tunnel junctions (MTJs) are the core elements of spintronic devices. Now, the mainstream writing operation of MTJs mainly relies on electric current with high energy dissipation, which can be greatly reduced if an electric field is used instead. In this regard, strain-mediated multiferroic heterostructure composed of MTJ and ferroelectrics are promising with the advantages of room temperature and magnetic field-free as already demonstrated by MTJ with in-plane magnetic anisotropy. However, there is no such report on the perpendicular MTJs (p-MTJs), which have been commercialized. Here, we investigate electric-field control of resistance state of MgO-based p-MTJs in multiferroic heterostructures. A remarkable and nonvolatile manipulation of resistance is demonstrated at room temperature without magnetic field assistance. Through various characterizations and micromagnetic simulation, the manipulation mechanism is uncovered. Our work provides an effective avenue for manipulating p-MTJ resistance by electric fields and is notable for high density and ultralow power spintronic devices.

11.
Natl Sci Rev ; 11(4): nwae063, 2024 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-38623453

RESUMEN

The Chinese Bayan Obo deposit is a world-class rare earth element (REE) deposit with considerable niobium (Nb) and iron (Fe) resources. A complete genetic understanding on all metals is fundamental for establishing genetic models at Bayan Obo. With extensive research being focused on REE enrichment, the timing and controls of Nb enrichment remain unresolved at Bayan Obo, which is mainly due to the challenges in dating, i.e. multistage thermal events, fine-grained minerals with complex textures and the rare occurrence of uranium-enriched minerals with mature dating methods. Based on robust geological and petrographic frameworks, here we conducted ion probe uranium-lead (U-Pb) dating of ferrocolumbite to unravel the timing, hence the genesis of Nb mineralization. Three types of hydrothermal ferrocolumbites-key Nb-bearing minerals-are identified based on their textures and mineral assemblages. They yield U-Pb ages of 1312 ± 47 Ma (n = 99), 438 ± 7 Ma (n = 93), and 268 ± 5 Ma (n = 19), respectively. In line with deposit geology, we tentatively link the first, second and third stage Nb mineralization to Mesoproterozoic carbonatite magmatism, ubiquitous early Paleozoic hydrothermal activity, and Permian granitic magmatism, respectively. While quantifying the contribution of metal endowment from each stage requires further investigation, our new dates highlight that multi-stage mineralization is critical for Nb enrichment at Bayan Obo, which may also have implications for the enrichment mechanism of Nb in REE deposits in general.

12.
CNS Neurosci Ther ; 30(3): e14687, 2024 03.
Artículo en Inglés | MEDLINE | ID: mdl-38497517

RESUMEN

AIMS: This study aimed to compare the clinical outcomes and safety of endovascular treatment (EVT) in patients with primary versus secondary medium vessel occlusion (MeVO). METHODS: From the endovascular treatment for acute ischemic stroke in the China registry, we collected consecutive patients with MeVO who received EVT. The primary endpoint was a good outcome, defined as a modified Rankin Scale (mRS) 0 to 2 at 90 days. RESULTS: 154 patients were enrolled in the final analysis, including 74 primary MeVO and 80 secondary MeVO. A good outcome at 90 days was achieved in 42 (56.8%) patients with primary MeVO and 33 (41.3%) patients with secondary MeVO. There was a higher probability of good outcomes in patients with the primary vs secondary MeVO (adjusted odds ratio, 2.16; 95% confidence interval, 1.04 to 4.46; p = 0.04). There were no significant differences in secondary and safety outcomes between MeVO groups. In the multivariable analysis, baseline ASPECTS (p = 0.001), final modified thrombolysis in cerebral infarction score (p = 0.01), and any ICH (p = 0.03) were significantly associated with good outcomes in primary MeVO patients, while baseline National Institutes of Health Stroke Scale (p = 0.002), groin puncture to recanalization time (p = 0.02), and early neurological improvement (p < 0.001) were factors associated with good outcome in secondary MeVO patients. CONCLUSION: In MeVO patients who received EVT, there was a higher likelihood of poor outcomes in patients with secondary versus primary MeVO.


Asunto(s)
Isquemia Encefálica , Procedimientos Endovasculares , Accidente Cerebrovascular Isquémico , Accidente Cerebrovascular , Estados Unidos , Humanos , Accidente Cerebrovascular/cirugía , Accidente Cerebrovascular/etiología , Isquemia Encefálica/cirugía , Isquemia Encefálica/etiología , Resultado del Tratamiento
13.
ACS Omega ; 9(11): 12676-12688, 2024 Mar 19.
Artículo en Inglés | MEDLINE | ID: mdl-38524470

RESUMEN

Although oil and gas from coaly source rocks have been widely discovered worldwide, the role of oil generated from coal measures in marine-continental coaly deposits during the Carboniferous-Permian period in the Bohai Bay Basin has long been a subject of debate. The recent discovery of a condensate reservoir in the Wumaying buried hill within the Huanghua Depression of the Bohai Bay Basin offers new potential insights into this issue. In this study, we employed organic geochemical methods to explore the possibility of the Carboniferous-Permian coal deposit being a primary source of the condensate. The distribution of light hydrocarbons and the biomarker assemblage indicate that the condensate did not undergo significant secondary alterations such as thermal cracking, gas invasion fractionation, or biodegradation. The hydrocarbon generation potential of the Carboniferous-Permian coaly source rocks suggests that they could be an important contributor to the formation of condensate. High pristine/phytane ratios (1.0-7.5), an abundant presence of benzene series, and the dominance of C29 steranes (>50%) within the condensate could be indicative of coaly organic matter. These features are comparable to those found in coaly source rocks. Moreover, the stable carbon isotopic compositions of n-alkanes in the condensate, ranging from -26.0 to -30.0‰, correlate well with those from coaly mudstone (-25.4 to -30.0‰). This suggests that the condensate of the Wumaying buried hill may predominantly originate from the Carboniferous-Permian coaly mudstone. When integrated with the geological background, the results distinctly demonstrate that the Carboniferous-Permian coaly source rocks have significantly contributed to the formation of the condensate reservoir in the Wumaying buried hill. This provides an essential reference for future exploration of oil and gas resources derived from the carboniferous-Permian coaly source rocks in the Bohai Bay Basin.

14.
Molecules ; 29(5)2024 Feb 26.
Artículo en Inglés | MEDLINE | ID: mdl-38474519

RESUMEN

A series of NH2-functionalized nano-sized magnetic metal-organic frameworks (MOFs) were prepared in this study for Cr(VI) removal from wastewater. It was observed that not only the morphological, i.e., orientation growth of N-doped and iron-based metal-organic frameworks, but also the adsorption of magnetic MOFs is largely related to the used amount of ammonium hydroxide in preparation. For example, with increasing amounts of ammonium hydroxide used in preparation, the morphology of magnetic MOFs changed from spherical to cube and triangular cone. Moreover, the maximum adsorption capacity of spherical-magnetic MOFs, cubic-magnetic MOFs and triangular cone-magnetic MOFs could be up to 204.08 mg/g, 232.56 mg/g and 270.27 mg/g, respectively. Under optimal conditions, the adsorption process of magnetic MOFs for Cr(VI) was consistent with the pseudo-second-order rate equation (R2 = 1) and Langmuir isotherm model (R2 > 0.99). Therefore, magnetic MOFs developed in this work offered a viable option for the removal of Cr(VI) from wastewater.

15.
Pharmaceutics ; 16(1)2024 Jan 22.
Artículo en Inglés | MEDLINE | ID: mdl-38276519

RESUMEN

The unique properties of ionic liquids (ILs), such as structural tunability, good solubility, chemical/thermal stability, favorable biocompatibility, and simplicity of preparation, have led to a wide range of applications in the pharmaceutical and biomedical fields. ILs can not only speed up the chemical reaction process, improve the yield, and reduce environmental pollution but also improve many problems in the field of medicine, such as the poor drug solubility, product crystal instability, poor biological activity, and low drug delivery efficiency. This paper presents a systematic and concise analysis of the recent advancements and further applications of ILs in the pharmaceutical field from the aspects of drug synthesis, drug analysis, drug solubilization, and drug crystal engineering. Additionally, it explores the biomedical field, covering aspects such as drug carriers, stabilization of proteins, antimicrobials, and bioactive ionic liquids.

16.
Eur J Mass Spectrom (Chichester) ; 30(1): 47-59, 2024 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-37807771

RESUMEN

To further understand the complexation and fragmentation during the extraction process, the formation of 2,9-bis(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-12,4-benzotriazin-3-yl)-1,10-phenanthroline (CyMe4-BTPhen) complexes with lanthanides (Ln = La, Ce, Nd, Sm, Eu, Yb) and actinides (UO22+, Th4+) was observed by electrospray ionization mass spectrometry (ESI-MS) technique and density functional theory (DFT) calculations. Mass spectrometry titrations showed the variation relationship of different complexes in acetonitrile. For lanthanides, the major complexes were 1:2 species ([Ln(L)2]3+ and [Ln(L)2(NO3)]2+) with a ratio of 1:2, which were observed at the initial addition of Ln3+, whereas the species ([Ln(L)(NO3)2]+) with a ratio of 1:1 was detected when the [Ln]/[L] concentration ratio reached 1.0. For UO22+ and Th4+ complexes, 1:1 or 1:2 species ([UO2L(NO3)]+, Th(L)2(NO3)3+ and Th(L)2(NO3)22+) were formed. The fragmentation chemistry of both the ligand and the complex cations was characterized in detail by collision-induced dissociation. The fragmentation process of CyMe4-BTPhen was unfolded sequentially on both sides of the ligand by cleavage of C-C and C-N bonds. DFT calculations provided a detailed analysis of the structures and thermodynamics of those complexes, which indicated that the stable complexes formed in acetonitrile solution were consistent with the ESI-MS results.

17.
Methods ; 220: 106-114, 2023 12.
Artículo en Inglés | MEDLINE | ID: mdl-37972913

RESUMEN

Discovering new indications for existing drugs is a promising development strategy at various stages of drug research and development. However, most of them complete their tasks by constructing a variety of heterogeneous networks without considering available higher-order connectivity patterns in heterogeneous biological information networks, which are believed to be useful for improving the accuracy of new drug discovering. To this end, we propose a computational-based model, called SFRLDDA, for drug-disease association prediction by using semantic graph and function similarity representation learning. Specifically, SFRLDDA first integrates a heterogeneous information network (HIN) by drug-disease, drug-protein, protein-disease associations, and their biological knowledge. Second, different representation learning strategies are applied to obtain the feature representations of drugs and diseases from different perspectives over semantic graph and function similarity graphs constructed, respectively. At last, a Random Forest classifier is incorporated by SFRLDDA to discover potential drug-disease associations (DDAs). Experimental results demonstrate that SFRLDDA yields a best performance when compared with other state-of-the-art models on three benchmark datasets. Moreover, case studies also indicate that the simultaneous consideration of semantic graph and function similarity of drugs and diseases in the HIN allows SFRLDDA to precisely predict DDAs in a more comprehensive manner.


Asunto(s)
Algoritmos , Semántica , Servicios de Información
18.
J Mass Spectrom ; 58(11): e4979, 2023 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-37903512

RESUMEN

Electrospray Ionization Mass Spectrometry (ESI-MS) technique and density functional theory (DFT) calculations were combined to study the formation of the complexes of lanthanides (Ln = La, Ce, Nd, Sm, Eu, Yb) and actinides (UO2 2+ , Th4+ ) with CyMe4 -BTBP (6,6'-bis(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-benzo-[1,2,4-]triazin-3-yl)-[2,2']bipyridine) to understand the mechanisms during the extraction process. Mass spectrometry titrations showed the formation of the complexation in acetonitrile. For lanthanides, only 1:2 complexes ([Ln(L)2 ]3+ , [Ln(L)2 (CH3 CN)]3+ ), [Ln(L)2 (NO3 )]2+ ) were found at low [Ln]/[L] concentration ratios, whereas the 1:1 complexes ([Ln(L)(NO3 )2 ]+ ) were observed when the [Ln]/[L] concentration ratio reached 1.0. For uranyl complexes, 1:1 complex ([UO2 L(NO3 )]+ ) was the only species within the measuring range. Th4+ complexes had two compositions: 1:1 and 1:2, in which 1:2 species was the dominant complex. Collision-induced dissociation (CID) was employed to characterize the fragmentation process. The fragmentation process was unfolded sequentially on both sides of CyMe4 -BTBP ligand with the loss of alkyl groups and cleavage of triazinyl rings. The CID results of CyMe4 -BTBP complexes revealed a slight difference depending on the metal center. The DFT calculations showed that the stable complexes formed in acetonitrile solution were consistent with the ESI-MS results.

19.
Poult Sci ; 102(12): 103074, 2023 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-37856909

RESUMEN

This study aimed to investigate the association of insulin-like growth factor 1 receptor (IGF-1R) gene single nucleotide polymorphisms (SNPs) with growth traits and carcass traits of quail by PCR amplification and direct sequencing technology. Genomic DNA was extracted from blood samples collected from 49 female French Giant (FG) quails and 36 female Savimalt (SV) quails as part of this study. Growth traits and carcass traits were measured and assessed for IGF-1R gene analysis in the 2 meat-type quail strains. The results showed that 2 SNPs (A57G and A72T) of the IGF-1R gene were detected in the 2 quail strains. The A57G (P = 0.002) and A72T (P = 0.026) were significantly associated with breastbone length (BBL) in FG. Whereas A57G was significantly associated with chest weight (CW, P = 0.004), BBL (P = 0.009), and body length (BL, P = 0.009) in SV, while A72T was significantly associated with BBL (P = 0.014) and BL (P = 0.028) in SV. Haplotypes based on these 2 SNPs showed significant effects on BBL in FG strain (P = 0.000), and they also had significant effects on CW (P = 0.007), BBL (P = 0.004), and BL (P = 0.001) in SV strain. Additionally, A57G was significantly associated with liver rate (LR) in FG strain (P = 0.017). A72T showed significant associations with dressed carcass weight (DCW, P = 0.048) and breast muscle weight (BMW, P = 0.018) in FG strain. A57G was significantly associated with DCW (P = 0.048), whole net carcass weight (WNCW, P = 0.048), BMW (P = 0.036), and liver muscle rate (LMR, P = 0.003) in SV strain. Haplotypes also displayed significant effects on BMW (P = 0.029) and LMR (P = 0.010) in FG strain. These findings indicated that the IGF-1R gene could serve as a valuable molecular genetic marker for enhancing growth traits and carcass traits in meat-type quails.


Asunto(s)
Codorniz , Femenino , Animales , Codorniz/genética , Pollos , Polimorfismo de Nucleótido Simple , Carne/análisis
20.
Poult Sci ; 102(12): 103047, 2023 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-37812872

RESUMEN

The leptin receptor (LEPR) gene is a member of the class I cytokine receptor family, which plays an important role in weight regulation, fat accumulation and neuroendocrine function in animals. This study aimed to explore the association of single nucleotide polymorphisms (SNPs) of the LEPR gene with growth and carcass traits in meat-type quail by PCR amplification and DNA direct sequencing. In this study, genomic DNA was extracted from blood samples of 36 female Savimalt (SV) quails and 49 female French Giant (FG) quails. Growth traits (measured at 3 or 5 wk) and carcass traits (measured at 5 wk) were used for LEPR gene association analysis. The results showed the existence of 9 SNPs (T81C, G90T, C187A, A191G, A219G, G258A, C286T, G346A, and G373A) of the LEPR gene in the 2 quail strains. The statistical analyses indicated that these SNPs of LEPR gene was significantly associated with shank circumference (SC), shank length (SL), breastbone length (BBL), heart rate (HR), and whole net carcass rate (WNCR) of FG (P < 0.05); chest width (CW), body length (BL), leg muscle rate (LMR), whole net carcass rate (WNCR), and heart rate (HR) of SV (P < 0.05). While haplotypes showed significant effect on SL, BBL, heart weight (HW), WNCR, and HR of FG (P < 0.05). Therefore, the LEPR gene may serve as a molecular genetic marker for improving growth and carcass traits in quails.


Asunto(s)
Pollos , Codorniz , Femenino , Animales , Codorniz/genética , Carne/análisis , Polimorfismo de Nucleótido Simple , ADN
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