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1.
Inorg Chem ; 63(4): 1803-1815, 2024 Jan 29.
Artigo em Inglês | MEDLINE | ID: mdl-38109502

RESUMO

Optically active functional noncentrosymmetric architectures might be achieved through the combination of molecules with inscribed optical responses and species of dedicated tectonic character. Herein, we present the new series of noncentrosymmetric cocrystal salt solvates (PPh4)3[M(CN)6](L)n·msolv (M = Cr(III), Fe(III), Co(III); L = polyresorcinol coformers, multiple hydrogen bond donors: 3,3',5,5'-tetrahydroxy-1,19-biphenyl, DiR, n = 2, or 5'-(3,5-dihydroxyphenyl)-3,3″,5,5″-tetrahydroxy-1,19:3',1″-terphenyl, TriRB, n = 1) denoted as MDiR and MTriRB, respectively. The hydrogen-bonded subnetworks {[M(CN)6]3-;Ln}∞ of dmp, neb, or dia topology are formed through structural matching between building blocks within supramolecular cis-bis(chelate)-like {[M(CN)6]3-;(H2L)2(HL)2} or tris(chelate)-like {[M(CN)6]3-;(H2L)3} fragments. The quantum-chemical analysis demonstrates the mixed electrostatic and covalent character of these interactions, with their strength clearly enhanced due to the negative charge of the hydrogen bond acceptor metal complex. The corresponding interaction energy is also dependent on the geometry of the contact and size matching of its components, rotational degree of freedom and extent of the π-electron system of the coformer, and overall fit to the molecular surroundings. Symmetry of the crystal lattices is correlated with the local symmetry of coformers and {complex;(coformer)n} hydrogen-bonded motifs characterized by the absence of the inversion center and mirror plane. All compounds reveal second-harmonic generation activity and photoluminescence diversified by individual UV-vis spectral characteristics of the components, and interesting low-frequency Raman scattering spectra within the subterahertz spectroscopic domain. Vibrational (infrared/Raman), UV-vis electronic absorption (experimental and calculated), and 57Fe Mössbauer spectra together with electrospray ionization mass spectrometry (ESI-MS) data are provided for the complete description of our systems.

2.
Mol Biol Rep ; 51(1): 392, 2024 Mar 06.
Artigo em Inglês | MEDLINE | ID: mdl-38446264

RESUMO

Pathogenic fungi and their spores are ubiquitously present and invade the tissues of higher living plants causing pathogenesis and inevitably death or retarded growth. A group of fungi kills its hosts and consume the dead tissues (necrotrophs), while others feed on living tissue (biotrophs) or combination of two (hemibiotrophs). A number of virulent factors is used by fungal pathogens to inhabit new hosts and cause illness. Fungal pathogens develop specialized structures for complete invasion into plant organs to regulate pathogenic growth. Virulence factors like effectors, mycotoxins, cell wall degrading enzymes and organic acids have varied roles depending on the infection strategy and assist the pathogens to possess control on living tissues of the plants. Infection strategies employed by fungi generally masks the plant defense mechanism, however necrotrophs are best known to harm plant tissues with their poisonous secretion. Interestingly, the effector chemicals released by Biotrophs reduce plant cell growth and regulate plant metabolism in their advantage causing no direct death. All these virulence tools cause huge loss to the agricultural product of pre- harvest crops and post-harvest yields causing low output leading to huge economic losses. This review focusses on comprehensive study of range of virulence factors of the pathogenic fungi responsible for their invasion inside the healthy tissues of plants. The compiled information would influence researchers to design antidote against all virulence factors of fungi relevant to their area of research which could pave way for protection against plant pathogenesis.


Assuntos
Produtos Agrícolas , Fatores de Virulência , Virulência , Agricultura , Ciclo Celular
3.
Int J Mol Sci ; 25(9)2024 Apr 26.
Artigo em Inglês | MEDLINE | ID: mdl-38731956

RESUMO

X-ray fluorescence imaging (XFI) can localize diagnostic or theranostic entities utilizing nanoparticle (NP)-based probes at high resolution in vivo, in vitro, and ex vivo. However, small-animal benchtop XFI systems demonstrating high spatial resolution (variable from sub-millimeter to millimeter range) in vivo are still limited to lighter elements (i.e., atomic number Z≤45). This study investigates the feasibility of focusing hard X-rays from solid-target tubes using ellipsoidal lens systems composed of mosaic graphite crystals with the aim of enabling high-resolution in vivo XFI applications with mid-Z (42≤Z≤64) elements. Monte Carlo simulations are performed to characterize the proposed focusing-optics concept and provide quantitative predictions of the XFI sensitivity, in silico tumor-bearing mice models loaded with palladium (Pd) and barium (Ba) NPs. Based on simulation results, the minimum detectable total mass of PdNPs per scan position is expected to be on the order of a few hundred nanograms under in vivo conform conditions. PdNP masses as low as 150 ng to 50 ng could be detectable with a resolution of 600 µm when imaging abdominal tumor lesions across a range of low-dose (0.8 µGy) to high-dose (8 µGy) exposure scenarios. The proposed focusing-optics concept presents a potential step toward realizing XFI with conventional X-ray tubes for high-resolution applications involving interesting NP formulations.


Assuntos
Grafite , Grafite/química , Animais , Camundongos , Imagem Óptica/métodos , Método de Monte Carlo , Nanopartículas/química , Paládio/química , Simulação por Computador , Espectrometria por Raios X/métodos
4.
Inorg Chem ; 62(7): 3278-3287, 2023 Feb 20.
Artigo em Inglês | MEDLINE | ID: mdl-36734995

RESUMO

Research on isomers is highly desirable due to their prospective role in better understanding of physicochemical properties of similar systems and further development of multifunctional molecular materials. Iron(II) and tetra(thiocyanato)mercury(II) ions self-assembled in the presence of 2-acetylpyridine (2-acpy) excess to form two {[Fe(2-acpy)][Hg(µ-SCN)4]}n isomers: two-dimensional (2D) centrosymmetric layers with folded ring structural motifs (1) and three-dimensional (3D) chiral networks with right- or left-handed {···Fe-NCS-Hg-SCN···}∞ helixes (2). New methods of designing and synthesizing functional thiocyanate-bridged materials have been proposed. In addition, the similarity between 1 and 2 allowed for the description of subtle changes in IR and UV-visible spectra. Moreover, 2 shows spontaneous resolution, and it crystallizes in the noncentrosymmetric space group P21, leading to the occurrence of nonlinear optical activity in circular dichroism studies and second harmonic generation (SHG). At room temperature, the SH susceptibility for powder sample 2 reached 6.0 × 10-11 esu. Ab initio calculations indicated the electric polarization vector and the crystallographic twofold screw axis pass through the aromatic ring. Magnetic studies for 1 and 2 revealed high-spin iron(II) with zero-field splitting at low temperatures. Analysis of magnetic data gave |D| = 37.45 cm-1, |E/D| = 5.59 cm-1, and ⟨g⟩ = 2.15 for 1, |D| = 36.78 cm-1, |E/D| = 4.92 cm-1, and ⟨g⟩ = 2.18 for 2, and information about the orientation of magnetic anisotropy vectors for both compounds.

5.
Angew Chem Int Ed Engl ; 62(7): e202214673, 2023 Feb 06.
Artigo em Inglês | MEDLINE | ID: mdl-36522797

RESUMO

Self-assembly FeII complexes of phenazine (Phen), quinoxaline (Qxn), and 4,4'-trimethylenedipyridine (Tmp) with tetrahedral building blocks of [HgII (XCN)4 ]2- (X=S or Se) formed six new high-dimensional frameworks with the general formula of [Fe(L)m ][Hg(XCN)4 ]⋅solvents (L=Phen, m/X=2/S, 1; L=Qxn, m/X=2/S, 2; L=Qxn, m/X=1/S, 3; L=Qxn, m/X=1/Se, 3-Se; L=Tmp, m/X=1/S, 4; and L=Tmp, m/X=1/Se, 4-Se). 1, 3, and 3-Se show an intense sub-terahertz (sub-THz) absorbance of around 0.60 THz due to vibrations of the solvent molecules coordinated to the FeII ions and crystallization organic molecules. In addition, crystals of 1, 4, and 4-Se display low-frequency Raman scattering with exceptionally low values of 0.44, 0.51, and 0.53 THz, respectively. These results indicate that heavy metal FeII -HgII systems are promising platforms to construct sub-THz absorbers.

6.
Med J Armed Forces India ; 79(Suppl 1): S283-S287, 2023 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-38144619

RESUMO

Ascites appear as a clinical manifestation of various disorders, and the presence of raised levels of eosinophils in the peritoneal fluid characterizes eosinophilic ascites, which is an extremely rare disorder. Eosinophilic gastroenteritis is one of the uncommon causes of ascites. If not investigated thoroughly, ascites recurrence in a young female with a history of tuberculosis may be wrongly attributed to tuberculosis recurrence in an endemic country. The etiology of ascites in our case was correctly identified as the subserosal form of eosinophilic ascites. Oral corticosteroids form the mainstay of treatment in such cases. Eosinophilic gastroenteritis is a rare disease, but a thorough workup and a strong clinical suspicion may help in the successful diagnosis and treatment of such cases.

7.
Med J Armed Forces India ; 79(Suppl 1): S1-S5, 2023 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-38144631

RESUMO

Background: The fight against tuberculosis in our country has taken a new shape with the inclusion of rapid nucleic acid amplification tests like GeneXpert MTB/RIF assay which rapidly detects Mycobacterium tuberculosis and rifampicin resistance. Rifampicin resistance detected on GeneXpert has been considered as a sine qua non for the presence of isoniazid resistance and hence classified as multidrug-resistant tuberculosis (MDR-TB). However treatment of rifampicin-resistant, isoniazid-monoresistance, and MDR-TB are different. Our study was done with the aim of identification of the prevalence of isoniazid resistance on culture, in cases which had rifampicin resistance on GeneXpert. Methods: Pulmonary samples of patients of presumptive tuberculosis were subjected to GeneXpert testing and liquid MGIT (mycobacterium growth indicator tube) culture. On detection of rifampicin resistance on MTB/RIF assay, the patients were included in our study and cultures were followed-up for sensitivity to isoniazid. A total of 76 patients were included. Results: 76 patients of rifampicin resistance on GeneXpert MTB/RIF assay were followed-up for the sensitivity of isoniazid on culture media. Out of the 76 cases, 62 (81.57%) were found to have isoniazid resistance. Out of the 14 patients, the cultures showed no growth in 6, and in the rest, isoniazid was found to be sensitive. Conclusion: GeneXpert MTB/RIF assay is an excellent modality for the detection of M. tuberculosis and rifampicin resistance. The decision to exclude isoniazid from the treatment regimen in patients with rifampicin resistance should be made only after conducting further molecular/phenotypic tests.

8.
J Biol Chem ; 296: 100597, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-33781745

RESUMO

Inflammasomes are macromolecular complexes involved in the host response to external and endogenous danger signals. Inflammasome-mediated sterile inflammation plays a central role in several human conditions such as autoimmune diseases, type-2 diabetes, and neurodegenerative disorders, indicating inflammasomes could be appealing therapeutic targets. Previous work has demonstrated that inhibiting the ATPase activity of the nucleotide-binding oligomerization domain, leucine-rich repeat and pyrin domain-containing protein 3 (NLRP3), disrupts inflammasome assembly and function. However, there is a necessity to find new potent compounds with therapeutic potential. Here we combine computational modeling of the target and virtual screening to discover a group of novel compounds predicted to inhibit NLRP3. We characterized the best compounds and determined their potency, specificity, and ability to inhibit processes downstream from NLRP3 activation. Moreover, we analyzed in mice the competence of a lead candidate to reduce lipopolysaccharide-induced inflammation. We also validated the active pharmacophore shared among all the NLRP3 inhibitors, and through computational docking, we clarify key structural features for compound positioning within the inflammasome ATP-binding site. Our study sets the basis for rational design and optimization of inflammasome-targeting probes and drugs.


Assuntos
Proteínas Adaptadoras de Sinalização CARD/antagonistas & inibidores , Proteínas de Ligação ao Cálcio/antagonistas & inibidores , Descoberta de Drogas , Inflamassomos/antagonistas & inibidores , Proteína 3 que Contém Domínio de Pirina da Família NLR/antagonistas & inibidores , Bibliotecas de Moléculas Pequenas/farmacologia , Animais , Proteínas Adaptadoras de Sinalização CARD/química , Proteínas de Ligação ao Cálcio/química , Avaliação Pré-Clínica de Medicamentos , Humanos , Inflamassomos/química , Camundongos , Modelos Moleculares , Proteína 3 que Contém Domínio de Pirina da Família NLR/química , Domínios Proteicos , Interface Usuário-Computador
9.
BMC Immunol ; 23(1): 53, 2022 11 02.
Artigo em Inglês | MEDLINE | ID: mdl-36324077

RESUMO

BACKGROUND: Macrophages are mononuclear CD34+ antigen-presenting cells of defense mechanism and play dual roles in tumor burden. The immunomodulatory and their antitumor function of ß-defensin 2 is still unclear, despite the accumulating evidence of the response in infection. So, the aim of present study is to elucidate the role of ß-defensin 2 on the level of ROS, cytokines, chemokine expression in macrophages and antitumor function in breast cancer. METHOD: Swiss albino mice were used to harvest PEC macrophages and C127i breast cancer cells line for tumor model was used in this study. Macrophages were harvested and characterized by flow-cytometry using F4/80 and CD11c antibodies. MTT was performed to estimate cytotoxicity and dose optimization of ß-defensin 2. Oxidative stress was analyzed by H2O2 and NO estimation followed by iNOS quantified by q-PCR. Cytokines and chemokines estimation was done using q-PCR. Co-culture experiment was performed to study anti-tumor function using PI for cell cycle, Annexin -V and CFSE analysis for cell proliferation. RESULTS: PEC harvested macrophages were characterized by flow-cytometry using F4/80 and CD11c antibodies with the purity of 8% pure population of macrophages. It was found that 99% of cells viable at the maximum dose of 100 ng/ml of ß-defensin 2 in MTT. Levels of NO and H2O2 were found to be decreased in ß-defensin 2 as compared to control. Expression of cytokines of IFN-γ, IL-1α, TNF-α, TGF-ßwas found to be increased while IL-3 was decreased in ß-defensin 2 group as compared to control. Levels of chemokines CXCL-1, CXCL-5 and CCL5 increased in treated macrophages while CCL24 and CXCL-15 expression decreased. Adhesion receptor (CD32) and fusion receptor (CD204) were decreased in the ß-defensin 2 group as compared to control. Anti-tumor experiment was performed using co-culture experiment apoptosis (Annexin-V) was induced, cell cycle arrest in phage and cell proliferation of C127i cells was decreased. CONCLUSION: This is the first report of ß-defensin 2 modulates macrophage immunomodulatory and their antitumor function in breast cancer. ß-defensin 2 as a new therapeutic target for immunotherapy as an adjuvant in vaccines.


Assuntos
Neoplasias , beta-Defensinas , Animais , Camundongos , beta-Defensinas/metabolismo , beta-Defensinas/farmacologia , Peróxido de Hidrogênio , Macrófagos , Citocinas/metabolismo , Quimiocinas/metabolismo , Quimiocinas/farmacologia , Anexinas/metabolismo , Anexinas/farmacologia , Neoplasias/metabolismo
10.
Inorg Chem ; 61(23): 8930-8939, 2022 Jun 13.
Artigo em Inglês | MEDLINE | ID: mdl-35652381

RESUMO

The design and synthesis of high-dimensional materials based on secondary building blocks (SBUs) play a pivotal role in the further development of functional molecular materials. Herein, the self-assembly of Cu(II) ions, pyrazole (Hpz), and octacyanidometallate(IV) anions in the presence of water produced two new isostructural three-dimensional systems {[Cu3(µ3-OH)(µ-pz)3(H2O)3]2[M(CN)8]}·nH2O (M = W, 1, and Mo, 2). 1 and 2 consist of trinuclear triangle copper(II) (TTC) SBUs and octacyanidometallates(IV). At room temperature, both assemblies display strong antiferromagnetic interactions within the TTC entities with an average CuII···CuII isotropic magnetic coupling constant of about -145 cm-1. Moreover, a detailed analysis of magnetic data revealed the presence of spin frustration with antisymmetric magnetic exchange-coupling constants of around +32 and +46 cm-1 for 1 and 2, respectively. Finally, quantum chemical calculations explained their magnetic and optical properties.

11.
Int J Mol Sci ; 23(11)2022 May 27.
Artigo em Inglês | MEDLINE | ID: mdl-35682730

RESUMO

Molecular vibrations in the solid-state, detectable in the terahertz (THz) region, are the subject of research to further develop THz technologies. To observe such vibrations in terahertz time-domain spectroscopy (THz-TDS) and low-frequency (LF) Raman spectroscopy, two supramolecular assemblies with the formula [NdIII (phen)3 (NCX)3] 0.3EtOH (X = S, 1-S; Se, 1-Se) were designed and prepared. Both compounds show several THz-TDS and LF-Raman peaks in the sub-THz range, with the lowest frequencies of 0.65 and 0.59 THz for 1-S and 1-Se, and 0.75 and 0.61 THz for 1-S and 1-Se, respectively. The peak redshift was observed due to the substitution of SCN- by SeCN-. Additionally, temperature-dependent TDS-THz studies showed a thermal blueshift phenomenon, as the peak position shifted to 0.68 THz for 1-S and 0.62 THz for 1-Se at 10 K. Based on ab initio calculations, sub-THz vibrations were ascribed to the swaying of the three thiocyanate/selenocyanate. Moreover, both samples exhibited near-infrared (NIR) emission from Nd (III), and very good thermometric properties in the 300-150 K range, comparable to neodymium (III) oxide-based thermometers and higher than previously reported complexes. Moreover, the temperature dependence of fluorescence and THz spectroscopy analysis showed that the reduction in anharmonic thermal vibrations leads to a significant increase in the intensity and a reduction in the width of the emission and LF absorption peaks. These studies provide the basis for developing new routes to adjust the LF vibrational absorption.


Assuntos
Luminescência , Espectroscopia Terahertz , Análise Espectral Raman , Temperatura , Vibração
12.
Angew Chem Int Ed Engl ; 61(20): e202201265, 2022 May 09.
Artigo em Inglês | MEDLINE | ID: mdl-35182087

RESUMO

Gold complexes can generate excimers ([Au2 ]→[Au2 ]*) and exciplexes ([Au3 ]→[Au3 ]*) with light excitation. Four GdIII and YIII complexes were assembled with dimeric {[Au(SCN)2 ]- }2 and trimeric {[Au(SCN)2 ]- }3 bis(thiocyanato)gold(I) counterions. The vibrational signature associated with the Au⋅⋅⋅Au vibrational mode was probed with ultralow frequency (ULF) Raman spectroscopy as a function of temperature. Emission spectroscopy was used to explore photophysical properties. Two broad features in the high- and low-energy regions were associated with the fluorescence and phosphorescence of the gold entities, respectively. Temperature-dependent luminescence measurements showed that the emission color can be tuned from blue to green via cyan and white. Hence, these complexes can act as colorimetric thermometers. Additionally, a ratiometric thermal sensing ability was incorporated with high sensitivity up to 5 % K-1 in the cryogenic temperature range.

13.
Med J Armed Forces India ; 78(4): 400-404, 2022 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-36267511

RESUMO

Background: The prevalence of allergic diseases such as asthma and allergic rhinitis is high in the general population, and aeroallergens are the most common allergens that cause airway inflammation. Skin prick testing (SPT) is a validated method to diagnose IgE-mediated allergic diseases. The knowledge of allergen sensitivity pattern in this part of India is limited. The present study was undertaken to identify common aeroallergens prevalent in this area using a standardized SPT. Methods: We did a cross-sectional hospital-based study. A total of 330 patients of proven allergic airway disease underwent SPT. We used a validated skin prick test which included 22 allergen extracts, 1 positive control, and 1 negative control. Results: A total of 327 patients were included in the study. Two hundred seventy-one (82.27%, n = 327) patients had a positive SPT to one or more aeroallergen extract. The sensitivity of Dermatophagoides pteronyssinus (49.85%) was seen in the maximum number of people followed by Dermatophagoides farinae (47.70%). Conclusions: In our study, dust mites were the most common aeroallergen seen in maximum study subjects.

14.
Inorg Chem ; 60(16): 12009-12019, 2021 Aug 16.
Artigo em Inglês | MEDLINE | ID: mdl-34318670

RESUMO

One-dimensional zigzag cyanido-bridged coordination polymers have been prepared as a result of self-assembly of lanthanide(III) ions with octacyanidotungstate(V) anions in the presence of N,N-dimethylacetamide (dma). All compounds crystallized in noncentrosymmetric space group P21 with a molecular formula of [LnIII(dma)5][WV(CN)8] [Ln = Gd (1), Tb (2), Dy (3), Ho (4), Er (5), Tm (6), Yb (7), Lu (8), or Y (9)]. Magnetic studies revealed weak antiferromagnetic interactions through LnIII-NC-WV bridges and the formation of ferrimagnetically coupled chains at very low temperatures. Moreover, temperature dependencies of magnetic susceptibilities were fitted using the crystal field parameters for Ln(III) ions, determined by the ab initio calculations, yielding magnetic coupling constants in the range of -1 to -5 cm-1. The wide optical transparency of 1-9 has been determined using solid state absorption spectroscopy. Samples exhibited second harmonic (SH) generation properties with SH susceptibilities ranging from 4.7 × 10-12 to 9.4 × 10-11 esu due to the presence of nonlinear optical susceptibility tensor elements (χijk) χzxx, χzyy, χzzz, χzxy, χyyz, χyzx, χxyz, and χxzx, corresponding to space group P21. The determined values were also compared with the results of theoretical calculations and previous reports, indicating a potential relationship between the type of lanthanide ion and the SH intensity.

15.
Pediatr Cardiol ; 42(4): 891-897, 2021 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-33511467

RESUMO

There is a need for a sensitive, safe, and cost-effective tool for coronary assessment among asymptomatic post-operative children who have undergone arterial switch operation (ASO) for transposition of great arteries (TGA). Adenosine stress echocardiography may be useful in assessing major structures as well for coronary functional assessment. Twenty-six children [median age 6.0 years; IQR 4.9-7.1 years, (22 boys)], who had undergone ASO at a median age of 40 days (IQR 30-75 days), were prospectively included. Left ventricular ejection fraction (LVEF) was calculated in both rest and stress studies (140 µg/kg/min of adenosine IV over 4 min), along with assessment of regional myocardial wall motion. Coronary flow reserve (CFR) was also measured in the left anterior descending artery (LAD). Technetium 99m-MIBI [0.2mCi/kg] was injected after 2 min of adenosine infusion. Adenosine infusion had to be stopped in two children, due to transient atrioventricular (AV) block. The LVEF increased from 55.87 ± 7.27 to 61.20 ± 7.70% (p < 0.001) with adenosine stress. No significant regional wall motion abnormality was seen in rest or stress. Distal LAD could not be visualized in four patients. Basal and peak coronary flow velocities were 41.51 ± 14.12 and 74.18 ± 6.01 cm/s. Mean CFR was 1.91 ± 0.51. Myocardial perfusion scintigraphy (MPS) was normal in all the patients. Four patients were lost to follow-up and remaining children did not develop any adverse events in the follow-up period of 64.5 ± 7.19 months. Adenosine stress echocardiography is feasible as the initial screening test in the assessment of asymptomatic post-operative children with ASO, at minimal to no inconvenience to the patient. The findings concurred with stress MPS.


Assuntos
Adenosina/administração & dosagem , Transposição das Grandes Artérias/métodos , Ecocardiografia sob Estresse/métodos , Imagem de Perfusão do Miocárdio/métodos , Tecnécio Tc 99m Sestamibi/administração & dosagem , Transposição dos Grandes Vasos/cirurgia , Criança , Pré-Escolar , Vasos Coronários/diagnóstico por imagem , Estudos de Viabilidade , Feminino , Coração/diagnóstico por imagem , Humanos , Masculino , Volume Sistólico , Tomografia Computadorizada de Emissão de Fóton Único/métodos , Função Ventricular Esquerda
16.
Int J Mol Sci ; 23(1)2021 Dec 21.
Artigo em Inglês | MEDLINE | ID: mdl-35008471

RESUMO

The aim of our study was to analyze the influence of various concentrations of γ-Fe2O3 nanoparticles on the physical properties of the liquid crystalline ferroelectric SmC* phase, as well as to check the effect of introducing nanoparticles in the LC matrix on their properties in the prepared five nanocomposites. UV-vis spectroscopy showed that the admixture reduced the absorption of nanocomposites in the UV range, additional absorption bands appeared, and all nanocomposites were transparent in the range of 500-850 nm. The molecular dynamics in particular phases of the nanocomposites were investigated by the dielectric spectroscopy method, and it was found that nanoparticles caused a significant increase in the dielectric constant at low frequencies, a strong modification of the dielectric processes in the SmC* phase, and the emergence of new relaxation processes for the highest dopant concentrations. SQUID magnetometry allowed us to determine the magnetic nature of the nanoparticles used, and to show that the blocked state of nanoparticles was preserved in nanocomposites (hysteresis loops were also registered in the ferroelectric SmC* phase). The dependence of the coercive field on the admixture concentration and the widening of the hysteresis loop in nanocomposites in relation to pure nanoparticles were also found. In turn, the FT-MIR spectroscopy method was used to check the influence of the impurity concentration on the formation/disappearance or modification of the absorption bands, and the modification of both the FWHM and the maximum positions for the four selected vibrations in the MIR range, as well as the discontinuous behavior of these parameters at the phase transitions, were found.


Assuntos
Compostos Férricos/química , Nanopartículas/química , Magnetismo/métodos , Nanocompostos/química , Tamanho da Partícula , Transição de Fase
17.
Molecules ; 25(8)2020 Apr 23.
Artigo em Inglês | MEDLINE | ID: mdl-32340326

RESUMO

Recently, we have shown that harmine induces ß-cell proliferation both in vitro and in vivo, mediated via the DYRK1A-NFAT pathway. We explore structure-activity relationships of the 7-position of harmine for both DYRK1A kinase inhibition and ß-cell proliferation based on our related previous structure-activity relationship studies of harmine in the context of diabetes and ß-cell specific targeting strategies. 33 harmine analogs of the 7-position substituent were synthesized and evaluated for biological activity. Two novel inhibitors were identified which showed DYRK1A inhibition and human ß-cell proliferation capability. The DYRK1A inhibitor, compound 1-2b, induced ß-cell proliferation half that of harmine at three times higher concentration. From these studies we can draw the inference that 7-position modification is limited for further harmine optimization focused on ß-cell proliferation and cell-specific targeting approach for diabetes therapeutics.


Assuntos
Harmina/química , Harmina/farmacologia , Células Secretoras de Insulina/efeitos dos fármacos , Animais , Proliferação de Células/efeitos dos fármacos , Harmina/análogos & derivados , Células Secretoras de Insulina/metabolismo , Espectroscopia de Ressonância Magnética , Modelos Moleculares , Conformação Molecular , Estrutura Molecular , Relação Estrutura-Atividade
18.
J Contemp Dent Pract ; 21(10): 1146-1149, 2020 Oct 01.
Artigo em Inglês | MEDLINE | ID: mdl-33686037

RESUMO

AIM AND OBJECTIVE: To compare the efficacy of 2% lignocaine and 4% articaine in the extraction of mandibular molars. MATERIALS AND METHODS: This study was conducted on 120 patients requiring surgical removal of tooth. Patients were categorized into 2 groups with 60 samples each. Group I patients were administered 2% lignocaine with 1:50,000 epinephrine and group II patients were administered 4% articaine with 1:100,000 epinephrine for the extraction of mandibular molar. Inferior alveolar nerve, lingual, and buccal nerve block used in both groups to anesthetize the area. RESULTS: The mean onset of action in group I was 85.2 seconds and in group II was 52.6 seconds, duration of anesthesia in group I was 170.2 minutes and in group II was 226.8 minutes, duration of procedure was 30.4 minutes in group I and 32.6 minutes in group II, pain during procedure in group I was 2.75 and in group II was 1.42, pain after procedure was 1.41 in group I and 0.82 in group II, pain during anesthesia insertion was 1.52 in group I and 1.04 in group II. Forty-six (76.7%) patients in group I and 52 (86.7%) patients in group II did not require re-anesthesia, while 12 (20%) in group I and 8 (13.3%) in group II required 1 time re-anesthesia and 2 (3.3%) patients required 2 times re-anesthesia in group I. CONCLUSION: Articaine can be effectively used in oral surgical procedures as there is early onset of action, longer duration of anesthesia, and less need of re-anesthesia. CLINICAL SIGNIFICANCE: Articaine is more effective compared to lignocaine, hence it can be recommended alternatively for tooth extraction and other oral surgical procedures.


Assuntos
Anestesia Dentária , Bloqueio Nervoso , Anestésicos Locais , Carticaína , Método Duplo-Cego , Humanos , Lidocaína , Medição da Dor
19.
J Contemp Dent Pract ; 21(11): 1245-1248, 2020 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-33850070

RESUMO

AIM AND OBJECTIVE: The aim of this study was to determine the stability of immediate-loaded single implants with periotest. MATERIALS AND METHODS: In this in vivo study, dental implants with a length ranging from 10 to 13 mm and diameter of 3.0-4.2 mm were utilized. Stability of dental implant was evaluated using the Periotest® M handheld device before loading, at 1 month, 3 months, 6 months, and 1 year. RESULTS: Implants 11.5 mm in length had the highest mean periotest value (0) after placement, whereas 10 mm-long implant had a value of -0.31 and 13 mm had a value of -0.48. After 1 month, 10 mm had a value of 1.23, 11.5 mm had a value of -0.32, and 13.0 mm had a value of -0.24. After 6 months, 10 mm had a value of 1.78, 11.5 mm had a value of -0.4, and 13.0 mm had a value of -0.41. After 1 year, 10 mm had a value of -0.54, 11.5 mm had a value of -0.51, and 13.0 mm had a value of -0.48. There was an unconstructive relationship between implant length and the average periotest score. There was also an unconstructive association between the implant diameter and the mean periotest value. CONCLUSION: The implant with long and greatest diameter had higher stability. Periotest can be used to determine dental implant stability. CLINICAL SIGNIFICANCE: Periotest is useful in determining dental implant stability. Large-scale studies may be helpful in obtaining useful results.


Assuntos
Implantes Dentários , Implantação Dentária Endóssea , Osseointegração
20.
Inorg Chem ; 58(9): 5677-5687, 2019 May 06.
Artigo em Inglês | MEDLINE | ID: mdl-30998322

RESUMO

Self-assembly of lanthanide(III) complexes of 2,2':6',2″-terpyridine (terpy) with dicyanidoargentate(I) and dicyanidoaurate(I) anions in water results in the formation of six isostructural dinuclear systems [LnIII(terpy)(H2O)(NO3)2][MI(CN)2] (LnIII/MI = Dy/Ag, 1; Dy/Au, 2; Yb/Ag, 3; Yb/Au, 4; Er/Ag, 5; Er/Au, 6). They form three-dimensional supramolecular networks based on dinuclear molecules linked by hydrogen bonds, π-π interactions, and argentophilic (Ag···Ag) or aurophilic (Au···Au) interactions. All of the assemblies show complex solid-state strong UV and weak vis-NIR absorption due to overlapping contributions from 2,2':6',2″-terpyridine, dicyanidoargentate(I), dicyanidoaurate(I), and lanthanide(III) ions. Moreover, they exhibit excitation-wavelength-dependent multicolor photoluminescence ranging from bright white to blue via yellow, green, and cyan colors due to variable contributions from the dicyanidometalate and ligand. Assemblies 3-6 show NIR emission originating from YbIII and ErIII metal centers. Furthermore, compounds 1-6 and their magnetically diluted samples are magnetic-field-induced single-molecule magnets with energy barriers of up to 35 K. The effect of noble metal substitution on the magnetic properties of particular lanthanide ions is described. The influence on the thermal anisotropic energy barrier, which relates to the strength of the magnetic anisotropy, depends on the type of lanthanide used. The Ag-to-Au substitution enhances the anisotropy of the prolate YbIII ion and decreases it for the oblate DyIII ion. It also modifies the strength of dipolar interactions affecting the slow magnetic relaxation processes.

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