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1.
Int J Mol Sci ; 23(16)2022 Aug 17.
Artigo em Inglês | MEDLINE | ID: mdl-36012504

RESUMO

One of the commonly accepted approaches to estimate protein-protein interactions (PPI) in aqueous solutions is the analysis of their translational diffusion. The present review article observes a phenomenological approach to analyze PPI effects via concentration dependencies of self- and collective translational diffusion coefficient for several spheroidal proteins derived from the pulsed field gradient NMR (PFG NMR) and dynamic light scattering (DLS), respectively. These proteins are rigid globular α-chymotrypsin (ChTr) and human serum albumin (HSA), and partly disordered α-casein (α-CN) and ß-lactoglobulin (ß-Lg). The PPI analysis enabled us to reveal the dominance of intermolecular repulsion at low ionic strength of solution (0.003-0.01 M) for all studied proteins. The increase in the ionic strength to 0.1-1.0 M leads to the screening of protein charges, resulting in the decrease of the protein electrostatic potential. The increase of the van der Waals potential for ChTr and α-CN characterizes their propensity towards unstable weak attractive interactions. The decrease of van der Waals interactions for ß-Lg is probably associated with the formation of stable oligomers by this protein. The PPI, estimated with the help of interaction potential and idealized spherical molecular geometry, are in good agreement with experimental data.


Assuntos
Caseínas , Processamento de Proteína Pós-Traducional , Fenômenos Biofísicos , Caseínas/química , Difusão , Humanos , Concentração Osmolar , Eletricidade Estática
2.
J Environ Sci (China) ; 88: 301-315, 2020 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-31862071

RESUMO

An adaptable, energy efficient chemical process is employed to synthesize Cu2+ engrafted MgAl2O4 nanoparticles (Mg1-xCuxAl2O4, x=0, 0.1, 0.3, 0.5 abbreviated as MCA0, MCA1, MCA3, and MCA5 respectively), using chelating ligand and the calcination temperature was determined by the thermogravimetric analysis of the precursor mass. They acted as good fluoride adsorbent in the presence of co-ions, different pH (2-11) via chemisorption revealed from Fourier-transform infrared spectroscopy (FTIR) and photodegraded Methylene Blue (MB). The satisfactory results were for MCA1 (specific surface area 25.05m2/g) with 97% fluoride removal at pH7.0 for the 10mg/L initial fluoride concentration for 1.5g/L adsorbent dose with 45min contact time obeying the Langmuir isotherm model with negative thermodynamic parameters and 4mmol of MCA3 with 98.51% photodegradation for 10-5mol/LMB solution obeying pseudo-second-order and pseudo-first-order kinetics respectively. The proposed photodegradation mechanism of MB was established by the FTIR and high-performance liquid chromatography (HPLC) analysis. The nanoparticles are cubic, estimated through X-ray diffraction (XRD) and transmission electron microscopy (TEM) analysis. The band gap energies, grain size, and the effective working pH were estimated by diffuse reflectance spectra (DRS), scanning electron microscope (SEM), and zero-point potential analysis respectively. A soil candle with MCA1 also fabricated for the household purpose and tested with some fluorinated field samples. The MCA3 was able to enhance the latent fingerprint on smooth surfaces.


Assuntos
Cobre/química , Nanopartículas/química , Poluentes Químicos da Água/química , Adsorção , Fluoretos , Cinética , Espectroscopia de Infravermelho com Transformada de Fourier , Difração de Raios X
3.
BMC Res Notes ; 17(1): 95, 2024 Mar 29.
Artigo em Inglês | MEDLINE | ID: mdl-38553773

RESUMO

BACKGROUND: Verbatim transcription of qualitative audio data is a cornerstone of analytic quality and rigor, yet the time and energy required for such transcription can drain resources, delay analysis, and hinder the timely dissemination of qualitative insights. In recent years, software programs have presented a promising mechanism to accelerate transcription, but the broad application of such programs has been constrained due to expensive licensing or "per-minute" fees, data protection concerns, and limited availability of such programs in many languages. In this article, we outline our process of adapting a free, open-source, speech-to-text algorithm (Whisper by OpenAI) into a usable and accessible tool for qualitative transcription. Our program, which we have dubbed "Vink" for voice to ink, is available under a permissive open-source license (and thus free of cost). RESULTS: We conducted a proof-of-principle assessment of Vink's performance in transcribing authentic interview audio data in 14 languages. A majority of pilot-testers evaluated the software performance positively and indicated that they were likely to use the tool in their future research. Our usability assessment indicates that Vink is easy-to-use, and we performed further refinements based on pilot-tester feedback to increase user-friendliness. CONCLUSION: With Vink, we hope to contribute to facilitating rigorous qualitative research processes globally by reducing time and costs associated with transcription and by expanding free-of-cost transcription software availability to more languages. With Vink running on standalone computers, data privacy issues arising within many other solutions do not apply.


Assuntos
Tinta , Interface Usuário-Computador , Fala , Software
4.
Acta Crystallogr F Struct Biol Commun ; 77(Pt 9): 294-302, 2021 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-34473106

RESUMO

Acyltransferases are responsible for the selection and loading of acyl units onto carrier proteins in polyketide and fatty-acid biosynthesis. Despite the importance of protein-protein interactions between the acyltransferase and the carrier protein, structural information on acyltransferase-carrier protein interactions is limited because of the transient interactions between them. In the biosynthesis of the polyketide vicenistatin, the acyltransferase VinK recognizes the carrier protein VinL for the transfer of a dipeptidyl unit. The crystal structure of a VinK-VinL covalent complex formed with a 1,2-bismaleimidoethane cross-linking reagent has been determined previously. Here, the crystal structure of a VinK-VinL covalent complex formed with a pantetheine cross-linking probe is reported at 1.95 Šresolution. In the structure of the VinK-VinL-probe complex, the pantetheine probe that is attached to VinL is covalently connected to the side chain of the mutated Cys106 of VinK. The interaction interface between VinK and VinL is essentially the same in the two VinK-VinL complex structures, although the position of the pantetheine linker slightly differs. This structural observation suggests that interface interactions are not affected by the cross-linking strategy used.


Assuntos
Aciltransferases/química , Aciltransferases/metabolismo , Reagentes de Ligações Cruzadas/química , Panteteína/química , Panteteína/metabolismo , Domínios e Motivos de Interação entre Proteínas , Aciltransferases/genética , Cristalografia por Raios X , Mutagênese Sítio-Dirigida , Mutação , Conformação Proteica , Especificidade por Substrato
5.
Materials (Basel) ; 13(20)2020 Oct 09.
Artigo em Inglês | MEDLINE | ID: mdl-33050186

RESUMO

Eu3+-doped Sr10(PO4)6(OH)2-Sr3(PO4)2 (SrHAp-TSP) composites were obtained via the microwave-stimulated hydrothermal method and post-heat-treated from 750 to 950 °C. Concentration of the Eu3+ ions was set to be 0.5, 1, 2, 3, 5 mol% in a ratio of the strontium ions molar content. The structural and morphological properties were investigated by X-ray powder diffraction (XRPD), scanning electron microscopy (SEM) and fourier transform infrared spectroscopy (FT-IR) techniques. The average particle size of the studied materials annealed at 750, 850 and 950 °C were counted about 100, 131 and 173 nm, respectively. The luminescence properties depending on the dopant ion concentration, heat-treatment temperature, excitation wavelength and temperature were investigated. In the emission spectra, a broad peak corresponding to the 4f65d1 → 4f7 (8S7/2) emission of Eu2+ ions as well as narrow 4f-4f transitions typical for Eu3+ ions can be observed. The luminescence intensity of the 1 mol% Eu3+:Sr10(PO4)6(OH)2-Sr3(PO4)2 was measured depending on the ambient temperature in the range of 80-550 K. The CIE 1931 (International Commission on Illumination) chromaticity diagram was determined from emission spectra measured in 80, 300 and 550 K. The reduction mechanism of the Eu3+ to the Eu2+ was explained by the charge compensation mechanism based on the Kröger-Vink-notation. The decay times were measured and the Judd-Ofelt (J-O) theory was applied to analyze the observed structural and spectroscopic features.

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