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1.
Nano Lett ; 24(7): 2282-2288, 2024 Feb 21.
Artigo em Inglês | MEDLINE | ID: mdl-38345381

RESUMO

The rapid development of infrared spectroscopy, observational astronomy, and scanning near-field microscopy has been enabled by the emergence of sensitive mid- and far-infrared photodetectors. Superconducting hot-electron bolometers (HEBs), known for their exceptional signal-to-noise ratio and fast photoresponse, play a crucial role in these applications. While superconducting HEBs are traditionally crafted from sputtered thin films such as NbN, the potential of layered van der Waals (vdW) superconductors is untapped at THz frequencies. Here, we introduce superconducting HEBs made from few-layer NbSe2 microwires. By improving the interface between NbSe2 and metal leads, we overcome impedance mismatch with RF readout, enabling large responsivity THz detection (0.13 to 2.5 THz) with a minimal noise equivalent power of 7 pW/ Hz and nanosecond-range response time. Our work highlights NbSe2 as a promising platform for HEB technology and presents a reliable vdW assembly protocol for custom bolometer production.

2.
Plants (Basel) ; 12(3)2023 Jan 26.
Artigo em Inglês | MEDLINE | ID: mdl-36771648

RESUMO

Prostate cancer (PCa) is one of the most common male malignancies worldwide. In the current study, we evaluated the effects of a natural deep eutectic solvent (NADES) extract of Pueraria lobata roots rich in isoflavones (ISF) and Phaffia rhodozyma extract rich in astaxanthin (ASX) on an N-methyl-N-nitrosourea plus testosterone PCa model in rats. ISF consisted of puerarin, daidzein, genistein, formononetin and other polyphenols, while ASX contained lipids and unsaturated species in addition to astaxanthin. Extracts were administered through a whole promotion period in daily doses shown by our group to successfully inhibit benign prostate hyperplasia (BPH) development - 200 mg/kg for ISF and 25 mg/kg for ASX. Though a similar effect was found for BPH processes accompanying PCa induction, the incidence of PCa in animals treated with placebo, ISF and ASX was 37%, 37% and 41%, respectively, showing no chemopreventive activity of ISF and ASX. PCa development was associated with a decrease in the Ca/Mg ratio in serum and an increase in prostate tissue. Treatment with both extracts produced a normalization effect on Ca balance in serum, which, combined with a decrease in the prostatic index, suggests some positive health effects of ISF and ASX.

3.
Diagnostics (Basel) ; 13(3)2023 Jan 19.
Artigo em Inglês | MEDLINE | ID: mdl-36766482

RESUMO

Healthcare workers are much more likely to be infected with HIV and hepatitis viruses compared to the general population. Although healthcare workers are more aware of HIV and hepatitis viruses, several countries in Africa lack a comprehensive grasp of disease routes and transmission risks. The aim of this study was to assess the prevalence of the serological and molecular biological markers of HIV and viral hepatitis among healthcare workers in the Republic of Guinea. The study material was 74 blood serum samples collected from healthcare workers who received additional training at the Institute of Applied Biological Research of Guinea (IRBAG, Kindia, Republic of Guinea). The markers examined included HBsAg, HBeAg, anti-HBs IgG, anti-HBcore IgG, anti-HCV qualitative determination, anti-HEV IgM and IgG, anti-HAV IgM and IgG, and anti-HIV. For viral DNA and RNA detection, nucleic acids were extracted from blood serum, and viral presence was inferred using real-time PCR with hybridization fluorescence detection. A high prevalence of viral hepatitis B markers was shown, and significantly fewer cases of viral hepatitis C and HIV were detected. Almost all examined medical workers had anti-HAV IgG antibodies, but no antibodies to hepatitis E virus. Apparently, the identified markers depend on the general prevalence of certain pathogens in the region and are associated with the traditions and characteristics of the country's residents.

4.
Clin Chem Lab Med ; 61(3): 485-493, 2023 02 23.
Artigo em Inglês | MEDLINE | ID: mdl-36457141

RESUMO

OBJECTIVES: The N-terminal fragment of pro-B-type natriuretic peptide (NT-proBNP) is a widely used heart failure (HF) biomarker. Commercial NT-proBNP immunoassays detect only a subfraction of endogenous NT-proBNP, as the antibodies target a region of NT-proBNP that could be glycosylated at Ser44. The diagnostic utility of immunoassays measuring total NT-proBNP remains unclear. METHODS: NT-proBNP was measured in 183 HF and 200 non-HF patients diagnosed by two independent cardiologists blinded to NT-proBNP results. Plasma samples either non-treated or treated with a mixture of glycosidases were analyzed by the Elecsys proBNP II assay (Roche Diagnostics, based on antibodies targeting a glycosylated region of NT-proBNP) and the SuperFlex NT-proBNP assay (PerkinElmer, based on antibodies targeting regions of NT-proBNP that are free of O-glycans). The diagnostic accuracy of the two assays was analyzed by comparison of ROC curves. RESULTS: The ROC-AUC for the proBNP II assay was 0.943 (95% CI 0.922-0.964) for NT-proBNP measured in untreated samples and 0.935 (0.913-0.958) for NT-proBNP measured in glycosidase-treated samples. The SuperFlex NT-proBNP assay in untreated samples gave a ROC-AUC of 0.930 (95% CI 0.907-0.954). The median percentage of non-glycosylated NT-proBNP to total NT-proBNP was 1.5-1.6-fold lower in the non-HF group compared to that in the HF group. CONCLUSIONS: The clinical value of total NT-proBNP for HF diagnosis was similar to the subfraction of NT-proBNP that was non-glycosylated at Ser44. The lower percentage of non-glycosylated NT-proBNP to total NT-proBNP in non-HF patients suggests that total NT-proBNP might be more sensitive in individuals without current or prior symptoms of HF.


Assuntos
Insuficiência Cardíaca , Peptídeo Natriurético Encefálico , Humanos , Fragmentos de Peptídeos , Curva ROC , Biomarcadores , Imunoensaio , Insuficiência Cardíaca/diagnóstico , Anticorpos
5.
J Med Virol ; 95(1): e28184, 2023 01.
Artigo em Inglês | MEDLINE | ID: mdl-36175006

RESUMO

To study the structure of human immunodeficiency virus (HIV)-1 drug resistance (DR) in patients with newly diagnosed infection. Residents of the Republic of Guinea (N = 2168) were tested for HIV using enzyme-linked immunosorbent assay (ELISA). Individuals with a positive result were further examined for the presence of viral load in blood plasma. HIV was analyzed using Sanger sequencing. The obtained sequences were genotyped using REGA (version 3.0) and analyzed in MEGA 7. Analysis for the presence of DR mutations was performed using the Stanford University HIV DR Database. Serological markers of HIV were detected in 239 people, which represents 11.02% of the entire sample. HIV RNA was detected in 58 people. The following subtypes were seen: HIV CRF02_AG (41.9%); A1 (29.1%); A3 (12.9%); URF A1_G (12.9%); and G (3.2%). In 25% of patients, at least one significant mutation was encountered leading directly to HIV DR. The mutations encountered cause resistance to NRTI and NNRTI; one case of multiple resistance was identified. Major resistance to protease inhibitor was not seen. The detection of HIV-1 mutations associated with DR, in individuals who have never received antiretroviral therapy, is a cause for concern. It suggests that: new infections are occurring with strains that already have resistance; and the expansion of resistance is not always directly associated with selective drug pressure. Among the likely reasons for the high prevalence of primary HIV DR in the Republic of Guinea, drug availability is probably the key. The consequence of this is the lack of adherence of patients to treatment, the formation and transmission of resistant variants of the virus in the population. These findings suggest the need to test patients for resistant virus variants before initiating treatment.


Assuntos
Fármacos Anti-HIV , Infecções por HIV , HIV-1 , Humanos , HIV-1/genética , Prevalência , Guiné/epidemiologia , Farmacorresistência Viral/genética , Mutação , Infecções por HIV/tratamento farmacológico , Infecções por HIV/epidemiologia , Genótipo , Fármacos Anti-HIV/farmacologia , Fármacos Anti-HIV/uso terapêutico , Filogenia
6.
PLoS One ; 17(12): e0275516, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-36454731

RESUMO

The paper focuses on econometrically justified robust analysis of the effects of the COVID-19 pandemic on financial markets in different countries across the World. It provides the results of robust estimation and inference on predictive regressions for returns on major stock indexes in 23 countries in North and South America, Europe, and Asia incorporating the time series of reported infections and deaths from COVID-19. We also present a detailed study of persistence, heavy-tailedness and tail risk properties of the time series of the COVID-19 infections and death rates that motivate the necessity in applications of robust inference methods in the analysis. Econometrically justified analysis is based on heteroskedasticity and autocorrelation consistent (HAC) inference methods, recently developed robust t-statistic inference approaches and robust tail index estimation.


Assuntos
COVID-19 , Humanos , COVID-19/epidemiologia , Pandemias , Fatores de Tempo , Ásia , Europa (Continente)/epidemiologia
7.
Int J Mol Sci ; 23(24)2022 Dec 16.
Artigo em Inglês | MEDLINE | ID: mdl-36555683

RESUMO

Chronic liver diseases affect more than 1 billion people worldwide and represent one of the main public health issues. Nonalcoholic fatty liver disease (NAFLD) accounts for the majority of mortal cases, while there is no currently approved therapeutics for its treatment. One of the prospective approaches to NAFLD therapy is to use a mixture of natural compounds. They showed effectiveness in alleviating NAFLD-related conditions including steatosis, fibrosis, etc. However, understanding the mechanism of action of such mixtures is important for their rational application. In this work, we propose a new dereplication workflow for deciphering the mechanism of action of the lignin-derived natural compound mixture. The workflow combines the analysis of molecular components with high-resolution mass spectrometry, selective chemical tagging and deuterium labeling, liver tissue penetration examination, assessment of biological activity in vitro, and computational chemistry tools used to generate putative structural candidates. Molecular docking was used to propose the potential mechanism of action of these structures, which was assessed by a proteomic experiment.


Assuntos
Aprendizado Profundo , Hepatopatia Gordurosa não Alcoólica , Humanos , Hepatopatia Gordurosa não Alcoólica/tratamento farmacológico , Lignina/farmacologia , Polifenóis/farmacologia , Polifenóis/uso terapêutico , Polifenóis/análise , Proteômica , Simulação de Acoplamento Molecular , Espectrometria de Massas
8.
Viruses ; 14(11)2022 11 07.
Artigo em Inglês | MEDLINE | ID: mdl-36366563

RESUMO

A total of 381 hepatitis B virus (HBV) DNA sequences collected from nine groups of Siberian native populations were phylogenetically analyzed along with 179 HBV strains sampled in different urban populations of former western USSR republics and 50 strains from Central Asian republics and Mongolia. Different HBV subgenotypes predominated in various native Siberian populations. Subgenotype D1 was dominant in Altaian Kazakhs (100%), Tuvans (100%), and Teleuts (100%) of southern Siberia as well as in Dolgans and Nganasans (69%), who inhabit the polar Taimyr Peninsula. D2 was the most prevalent subgenotype in the combined group of Nenets, Komi, and Khants of the northern Yamalo-Nenets Autonomous Region (71%) and in Yakuts (36%) from northeastern Siberia. D3 was the main subgenotype in South Altaians (76%) and Buryats (40%) of southeastern Siberia, and in Chukchi (51%) of the Russian Far East. Subgenotype C2 was found in Taimyr (19%) and Chukchi (27%), while subgenotype A2 was common in Yakuts (33%). In contrast, D2 was dominant (56%) in urban populations of the former western USSR, and D1 (62%) in Central Asian republics and Mongolia. Statistical analysis demonstrated that the studied groups are epidemiologically isolated from each other and might have contracted HBV from different sources during the settlement of Siberia.


Assuntos
Vírus da Hepatite B , Hepatite B , Humanos , Vírus da Hepatite B/genética , Genótipo , Filogenia , Povo Asiático , Variação Genética , Hepatite B/epidemiologia
9.
J Phys Chem Lett ; 13(41): 9673-9678, 2022 Oct 20.
Artigo em Inglês | MEDLINE | ID: mdl-36215723

RESUMO

Controlling molecular spectroscopy and even chemical behavior in a cavity environment is a subject of intense experimental and theoretical interest. In Fabry-Pérot cavities, strong (radiation-matter) coupling phenomena without an intense radiation field often rely on the number of chromophore molecules collectively interacting with a cavity mode. For plasmonic cavities, the cavity field-matter coupling can be strong enough to manifest strong coupling involving even a single molecule. To this end, infrared plasmonic cavities can be particularly useful in understanding vibrational strong coupling. Here we present a procedure for estimating the radiation-matter coupling and, equivalently, the mode volume as well as the mode lifetime and quality factor for plasmonic cavities of arbitrary shapes and use it to estimate these quantities for infrared cavities of two particularly relevant geometries comprising several n-doped semiconductors. Our calculations demonstrate very high field confinement and low mode volumes of these cavities despite having relatively low quality factors, which is often the case for plasmonic cavities.

10.
Polymers (Basel) ; 14(20)2022 Oct 19.
Artigo em Inglês | MEDLINE | ID: mdl-36297999

RESUMO

In this paper, we theoretically consider the process of the capillary thinning of a polymer fluid thread bridging two large immobile droplets in the regime of highly stretched polymer chains. We first derive a new relation between the pressure p and the flow velocity v in unentangled polymer solutions, which is called the anti-Bernoulli law: it shows that p is higher where v is faster. Using this equation, it is shown that the flow field is asymptotically irrotational, in particular, in the thread/droplet transition zones (in the case, the negligible solvent viscosity and inertial effects). On this basis, we predict the free surface profile and the thread thinning law for the FENE-P model of polymer dynamics. The predictions are compared with recent theoretical results and some experimental data on capillary thinning.

11.
Materials (Basel) ; 15(17)2022 Aug 26.
Artigo em Inglês | MEDLINE | ID: mdl-36079279

RESUMO

Stanene, composed of tin atoms, is a member of 2D-Xenes, two-dimensional single element materials. The properties of the stanene can be changed and improved by applying deformation, and it is important to know the range of in-plane deformation that the stanene can withstand. Using the Tersoff interatomic potential for calculation of phonon frequencies, the range of stability of planar stanene under uniform in-plane deformation is analyzed and compared with the known data for graphene. Unlike atomically flat graphene, stanene has a certain thickness (buckling height). It is shown that as the tensile strain increases, the thickness of the buckled stanene decreases, and when a certain tensile strain is reached, the stanene becomes absolutely flat, like graphene. Postcritical behaviour of stanene depends on the type of applied strain: critical tensile strain leads to breaking of interatomic bonds and critical in-plane compressive strain leads to rippling of stanene. It is demonstrated that application of shear strain reduces the range of stability of stanene. The existence of two energetically equivalent states of stanene is shown, and consequently, the possibility of the formation of domains separated by domain walls in the stanene is predicted.

12.
Polymers (Basel) ; 14(16)2022 Aug 11.
Artigo em Inglês | MEDLINE | ID: mdl-36015528

RESUMO

Targeted drug release is a significant research focus in the development of drug delivery systems and involves a biocompatible polymeric carrier and certain medicines. Cryostructuring is a suitable approach for the preparation of efficient macroporous carriers for such drug delivery systems. In the current study, the cryogenically structured carriers based on alginate/chondroitin sulfate mixtures were prepared and their physicochemical properties and their ability to absorb/release the bactericides were evaluated. The swelling parameters of the polysaccharide matrix, the amount of the tightly bound water in the polymer and the sulfur content were measured. In addition, FTIR and UV spectroscopy, optical and scanning microscopy, as well as a standard disk diffusion method for determining antibacterial activity were used. It was shown that alginate/chondroitin sulfate concentration and their ratios were significant factors influencing the swelling properties and the porosity of the resultant cryostructurates. It was demonstrated that the presence of chondroitin sulfate in the composition of a polymeric matrix slowed down the release of the aminoglycoside antibiotic gentamicin. In the case of the NH2-free bactericide, dioxidine, the release was almost independent of the presence of chondroitin sulfate. This trend was also registered for the antibacterial activity tests against the Escherichia coli bacteria, when examining the drug-loaded biopolymeric carriers.

13.
Diagnostics (Basel) ; 12(8)2022 Jul 28.
Artigo em Inglês | MEDLINE | ID: mdl-36010172

RESUMO

Highly active antiretroviral therapy (HAART) is currently a combination of three (less frequently four) antiretroviral drugs; these target pathways involved in various stages of HIV replication in the body. Treatment failure is a problem facing doctors and patients using HAART. The most common cause of therapeutic failure is the development of HIV drug resistance. The emergence of resistance is associated with processes involving mutation occurring in the viral genome under the influence of evolutionary factors. Sequencing reactions were performed using the AmpliSens HIV Resist-Seq. Assembly of consensus sequences from fragments obtained during sequencing was carried out using Unipro UGENE softwar. Isolate genotyping was performed using the MEGA-X software with the Neighbor-joining algorithm. According to the analysis, 72.05% of patients had at least one significant mutation associated with drug resistance for the corresponding viral subtype. HIV-1 A6 remains the predominant HIV-1 genetic variant in Russia's Northwestern Federal District. Among samples with drug resistance mutations, in all cases, mutations associated with pharmacological resistance to two or three drug groups were found. Given the high incidence of resistance mutations in patients on ineffective ART, surveillance of HIV-1 drug resistance, in both ART-receiving and ART-naive individuals, appears necessary. A lack of vigilance and control measures may lead to the spread of primary ART-resistant HIV strains.

14.
Phys Rev E ; 105(6-1): 064204, 2022 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-35854569

RESUMO

Delocalized nonlinear vibrational modes (DNVMs) supported in crystal lattices are exact solutions to the equations of motion of particles that are determined by the symmetry of the lattices. DNVMs exist for any vibration amplitudes and for any interparticle potentials. It is important to know how the properties of DNVMs depend on the parameters of interparticle potentials. In this work, we analyze the effect of the Morse potential stiffness on the properties of one-component DNVMs in a face-centered cubic (fcc) lattice. In particular, the frequencies, kinetic and potential energy, mechanical stress, and elastic constants of DNVMs in a large range of vibration amplitudes are considered. Frequency-amplitude dependency obtained for the Morse crystal is compared with that obtained earlier for copper by using the potentials of the many-body embedded atom method. The properties of DNVMs are mainly dictated by their symmetry and are less influenced by the interparticle potentials. It is revealed that at low and high stiffness of interparticle bonds, different sets of DNVMs have frequencies above the phonon band. This is important to predict the possible types of discrete breathers supported by the fcc lattice. The results obtained in the work enrich the understanding of the influence of interparticle potentials on the properties of the studied family of exact dynamic solutions.

15.
Materials (Basel) ; 15(10)2022 May 18.
Artigo em Inglês | MEDLINE | ID: mdl-35629629

RESUMO

The increasing appearance of new strains of microorganisms resistant to the action of existing antibiotics is a modern problem that requires urgent decision. A promising potential solution is the use of nanoparticles of bioactive metals and their oxides as new antibacterial agents, since they are capable of affecting pathogenic microorganisms by mechanisms different from the mechanisms of action of antibiotics. Inorganic nanoparticles possess a wide spectrum of antibacterial activity. These particles can be easily conjugated with drug molecules and become carriers in targeted drug-delivery systems. This paper discusses the benefits and prospects of the application of nanoparticles from metals and metal oxides and their nanocomposites with antibacterial drugs.

16.
Nature ; 604(7905): 391-392, 2022 04.
Artigo em Inglês | MEDLINE | ID: mdl-35338367
17.
Polymers (Basel) ; 15(1)2022 Dec 22.
Artigo em Inglês | MEDLINE | ID: mdl-36616385

RESUMO

Reversible adsorption of a single stiff wormlike macromolecule to flat membranes with various permeabilities is considered theoretically. It is shown that the adsorbed layer microstructure is significantly different from either a flexible chain or a stiff chain adsorption at a solid surface. Close to the critical point, the adsorbing wormlike chain forms a strongly anisotropic proximal layer near the membrane in addition to a nearly isotropic distal layer. The proximal layer is characterized by the algebraic monomer concentration profile, c(x)∝x-ß, due to the self-similar distribution of aligned polymer loops. For a perfectly penetrable membrane, ß=1 which is different from ß=4/3 obtained for semiflexible chain adsorption at a solid surface. Moreover, we establish that the critical exponent for a partially permeable membrane depends on its properties (porosity w) and propose an asymptotically exact theory (based on the generalized Edwards equation) predicting this dependence, ß=ß(w). We also develop a scaling theory elucidating, in particular, an intricate competition of loops and tails in both proximal and distal sublayers.

18.
Plants (Basel) ; 10(12)2021 Dec 12.
Artigo em Inglês | MEDLINE | ID: mdl-34961206

RESUMO

Benign prostatic hyperplasia (BPH) is a common pathology among aging men. Despite the broad pharmacological interventions, the available remedies to treat BPH are yet not devoid of side effects. Herbal compounds are suggested to be an alternative option for the BPH treatment. In our study, we evaluated the effect of kudzu isoflavones and astaxanthin on the BPH animal model. The animals were randomly divided into five groups: control; testosterone-induced BPH group; and three BPH-induced groups, which received intragastrically for 28 days finasteride (5 mg/kg) as a positive control, isoflavones (200 mg/kg), and astaxanthin (25 mg/kg). BPH was induced by castration of animals and subsequent subcutaneous injections of prolonged testosterone (25 mg/kg). Prostate index and histology, biochemical parameters, and antioxidant activity were evaluated. A significant decrease in prostate weight, immunohistochemical markers, and normalization of prostate Ca/Mg ratio was found in all treatment groups. Astaxanthin treatment also resulted in decreased epithelial proliferation and normalized superoxide dismutase activity. In conclusion, both isoflavones and astaxanthin inhibited BPH development at a level comparable to finasteride in terms of prostate weight, prostatic epithelium proliferation, and prostate tissue cumulative histology score. These results suggest that isoflavones and especially astaxanthin could serve as a potential alternative therapy to treat BHP.

19.
J Med Internet Res ; 23(11): e30529, 2021 11 29.
Artigo em Inglês | MEDLINE | ID: mdl-34662291

RESUMO

BACKGROUND: There is a limited amount of data on the safety profile of the COVID-19 vector vaccine Gam-COVID-Vac (Sputnik V). Previous infodemiology studies showed that social media discourse could be analyzed to assess the most concerning adverse events (AE) caused by drugs. OBJECTIVE: We aimed to investigate mild AEs of Sputnik V based on a participatory trial conducted on Telegram in the Russian language. We compared AEs extracted from Telegram with other limited databases on Sputnik V and other COVID-19 vaccines. We explored symptom co-occurrence patterns and determined how counts of administered doses, age, gender, and sequence of shots could confound the reporting of AEs. METHODS: We collected a unique dataset consisting of 11,515 self-reported Sputnik V vaccine AEs posted on the Telegram group, and we utilized natural language processing methods to extract AEs. Specifically, we performed multilabel classifications using the deep neural language model Bidirectional Encoder Representations from Transformers (BERT) "DeepPavlov," which was pretrained on a Russian language corpus and applied to the Telegram messages. The resulting area under the curve score was 0.991. We chose symptom classes that represented the following AEs: fever, pain, chills, fatigue, nausea/vomiting, headache, insomnia, lymph node enlargement, erythema, pruritus, swelling, and diarrhea. RESULTS: Telegram users complained mostly about pain (5461/11,515, 47.43%), fever (5363/11,515, 46.57%), fatigue (3862/11,515, 33.54%), and headache (2855/11,515, 24.79%). Women reported more AEs than men (1.2-fold, P<.001). In addition, there were more AEs from the first dose than from the second dose (1.1-fold, P<.001), and the number of AEs decreased with age (ß=.05 per year, P<.001). The results also showed that Sputnik V AEs were more similar to other vector vaccines (132 units) than with messenger RNA vaccines (241 units) according to the average Euclidean distance between the vectors of AE frequencies. Elderly Telegram users reported significantly more (5.6-fold on average) systemic AEs than their peers, according to the results of the phase 3 clinical trials published in The Lancet. However, the AEs reported in Telegram posts were consistent (Pearson correlation r=0.94, P=.02) with those reported in the Argentinian postmarketing AE registry. CONCLUSIONS: After the Sputnik V vaccination, Russian Telegram users reported mostly pain, fever, and fatigue. The Sputnik V AE profile was comparable with other vector COVID-19 vaccines. Discussion on social media could provide meaningful information about the AE profile of novel vaccines.


Assuntos
COVID-19 , Aprendizado Profundo , Mídias Sociais , Vacinas , Idoso , Vacinas contra COVID-19 , Feminino , Humanos , Masculino , Federação Russa , SARS-CoV-2 , Vacinas/efeitos adversos
20.
J Phys Chem B ; 125(34): 9692-9707, 2021 09 02.
Artigo em Inglês | MEDLINE | ID: mdl-34410128

RESUMO

The dynamics of polarized fluorescence in NADH in alcohol dehydrogenase (ADH) in buffer solution has been studied using the TCSPC spectroscopy. A global fit procedure was used for determination of the fluorescence parameters from experiment. The interpretation of the results obtained was supported by ab initio calculations of the NADH structure. A theoretical model was developed describing the polarized fluorescence decay in ADH-NADH complexes that considered several interaction scenarios. A comparative analysis of the polarization-insensitive fluorescence decay using multiexponential fitting models has been carried out. As shown, the origin of a significant enhancement of the decay time in the ADH-NADH complex can be attributed to the decrease of nonradiative relaxation rates in the nicotinamide ring in the conditions of the apolar binding site environment. The existence of a single decay time in the ADH-NADH complex in comparison with two decay times observed in free NADH was attributed to a single NADH unfolded conformation in the ADH binding site. Comparison of the experimental data with the theoretical model suggested the existence of an anisotropic relaxation time of about 1 ns that is related with the rotation of fluorescence transition dipole moment due to the rearrangement of the excited state NADH nuclear configuration.


Assuntos
Álcool Desidrogenase , NAD , Álcool Desidrogenase/metabolismo , Anisotropia , Sítios de Ligação , NAD/metabolismo , Espectrometria de Fluorescência
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