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1.
Nano Lett ; 24(22): 6797-6804, 2024 Jun 05.
Artigo em Inglês | MEDLINE | ID: mdl-38775795

RESUMO

It is a huge challenge to increase the photoluminescence (PL) of lead-free halide perovskites, and understanding the mechanism behind exciton dynamics can provide a valuable solution. Herein, we achieved enhanced broad-band emission at ambient conditions in Cs2AgInCl6 by tuning self-trapped excitons (STEs) through Al3+ doping. Cryogenic measurements showed an inhomogeneous nature of STE emission due to the presence of defect states and is subject to thermal quenching. An increased Huang-Rhys factor (S-factor) resulted in better electron-phonon coupling and high-density STE states post Al3+ doping. Femtosecond transient absorption (fs-TA) results provided insights into the distribution dynamics of excitons, which occurs through gradient energy levels from free excitons (FE) to STEs, where each STE state potentially possesses higher quantized energy states. Overall, this study aims to comprehend the origins of self-trapping and decay of STEs in Cs2AgInCl6:Al3+ and emphasizes the potential of compositional engineering to mitigate self-trapping in this material.

2.
J Org Chem ; 89(13): 9303-9312, 2024 Jul 05.
Artigo em Inglês | MEDLINE | ID: mdl-38752740

RESUMO

Donor-acceptor-based organic small molecules with an electronic push-pull effect can demonstrate intramolecular charge transfer to show interesting photoluminescence properties. This is an essential criterion for designing fluorogenic probes for cell imaging studies and the development of organic light-emitting diodes. Now, to design such optical materials sometimes it is necessary to tune the band gap by controlling the energies of the highest occupied molecular orbital and lowest unoccupied molecular orbital. Typically, the band gaps could be modulated by installing unsaturated handles between electron-rich donors and electron-deficient acceptors. However, these methods are often synthetically and economically challenging due to the involvement of expensive catalysts and difficult reaction setups. In our present study, we show a straightforward, cost-effective method for obtaining a series of donor-acceptor-type Vinylogous Cyano Aminoaryls (VinCAs) with diverse emission colors. Further studies reveal that these VinCAs can serve as effective cell imaging agents, showcasing potential use in chemical biology. Additionally, these molecules could be further used to generate white light emission (WLE), showing their potential utility in advanced lighting technologies.

3.
Inorg Chem ; 2024 Jul 13.
Artigo em Inglês | MEDLINE | ID: mdl-39001850

RESUMO

A 2D framework, i.e., zinc organophosphate [Zn(tmbiph)(solv)]2 (tmbiphH4 = tetramethyl-[1,1'-biphenyl]-4,4'-diyl bis(dihydrogen phosphate); solv = 2H2O) with an eight-membered ring core has been developed. The hierarchical and rational design of the zinc organophosphate has been achieved by carefully designing an organic bisphosphate ligand with two phosphate monoester groups connected through extended aromatic rings with methyl groups at ortho positions. The development of the 2D network does not require any ancillary ligand due to participating two phosphate groups in the coordination. The molecular structure of the zinc phosphate material was determined using single-crystal X-ray diffraction technique. The corresponding Co and Cu organophosphate materials have also been obtained using the same synthetic method; however, these compounds could not be confirmed structurally due to nondiffractive crystal quality. The structure of zinc organophosphate obtained through single-crystal X-ray diffraction has also been supported by theoretical calculations using density function theory. Furthermore, the zinc organophosphate material has been employed as an corrosion inhibitor for mild steel. The effect of the zinc phosphate framework on mild steel in 1 M HCl was investigated using polarization and electrochemical impedance spectroscopy. This study suggests that such phosphate inhibitors can be employed in the form of a thin protective layer on the electrode surface.

4.
Bioorg Chem ; 143: 107029, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-38091717

RESUMO

Prostate cancer is one of the most prevalent cancers in men leading to second most death causing cancer in men. Despite the availability of multiple treatment still the prevalence is high for prostate cancer. Steroidal antagonists associated with poor bioavailability, side effects while non-steroidal antagonists show serious side effects like gynecomastia. Therefore, there is a need of potential candidate for the treatment of prostate cancer with better bioavailability, good therapeutic effect and minimal side effects. In the same context, we have designed the series, SP1-SP25 based 3-phenyl-5-styryl-1,2,4-oxadiazole as the core structure. We successfully synthesized all 25 molecules in this series and characterized them using 1H, 13C NMR, and mass spectroscopy. Subsequently, we conducted MTT assays using PC-3 cells and observed that all the compounds exhibited a dose-dependent decrease in cell viability. Notably, compounds SP04, SP16, and SP19 demonstrated a significant decrease in cell viability and exhibited potent activity compared to the other synthesized molecules and standard drug bicalutamide. Among them, SP04 emerged as the one of the most potent compounds with an IC50 value of 238.13 nM and an 89.99 % inhibition of PC-3 cells, compared to synthesized molecules and standard drug bicalutamide. Furthermore, we conducted ROS assays and androgen receptor inhibition assays using the potent compound SP04 and bicalutamide. The results indicated that SP04 increased ROS production and decreased androgen receptor expression dose-dependent manner. Additionally, we conducted a docking study to analyse the interaction patterns within the active site of the androgen receptor. ADMET analysis revealed that all the compounds exhibited favorable physicochemical properties and manageable toxicity profiles.


Assuntos
Anilidas , Antineoplásicos , Nitrilas , Neoplasias da Próstata , Compostos de Tosil , Masculino , Humanos , Simulação de Acoplamento Molecular , Receptores Androgênicos/química , Antineoplásicos/química , Espécies Reativas de Oxigênio , Esteroides/química , Neoplasias da Próstata/tratamento farmacológico , Estrutura Molecular , Proliferação de Células , Relação Estrutura-Atividade , Ensaios de Seleção de Medicamentos Antitumorais , Linhagem Celular Tumoral
5.
J Chem Phys ; 160(22)2024 Jun 14.
Artigo em Inglês | MEDLINE | ID: mdl-38856065

RESUMO

In experimental and theoretical studies of glass transition phenomena, one often finds a sharp crossover in dynamical properties at a temperature Tcr. A bifurcation of a relaxation spectrum is also observed at a temperature TB≈Tcr; both lie significantly above the glass transition temperature. In order to better understand these phenomena, we introduce a new model of glass-forming liquids, a binary mixture of prolate and oblate ellipsoids. This model system exhibits sharp thermodynamic and dynamic anomalies, such as the specific heat jump during heating and a sharp variation in the thermal expansion coefficient around a temperature identified as the glass transition temperature, Tg. The same temperature is obtained from the fit of the calculated relaxation times to the Vogel-Fulcher-Tammann (VFT) form. As the temperature is lowered, the calculated single peak rotational relaxation spectrum splits into two peaks at TB above the estimated Tg. Similar bifurcation is also observed in the distribution of short-to-intermediate time translational diffusion. Interrogation of the two peaks reveals a lower extent of dynamic heterogeneity in the population of the faster mode. We observe an unexpected appearance of a sharp peak in the product of rotational relaxation time τ2 and diffusion constant D at a temperature Tcr, close to TB, but above the glass transition temperature. Additionally, we coarse-grain the system into cubic boxes, each containing, on average, ∼62 particles, to study the average dynamical properties. Clear evidence of large-scale sudden changes in the diffusion coefficient and rotational correlation time signals first-order transitions between low and high-mobility domains.

6.
AAPS PharmSciTech ; 25(3): 61, 2024 Mar 14.
Artigo em Inglês | MEDLINE | ID: mdl-38485901

RESUMO

Mesalamine is a first-line drug for the treatment of inflammatory bowel diseases. However, its premature release associated with marketed formulations leads to adverse effects like gastric trouble, vomiting, and diarrhoea. To minimize these side effects, colon-targeted drug delivery is essential. Besides conventional pharmacotherapy, bifidogenic probiotics with anti-inflammatory activity has been reported to elicit a significant impact on the remission of ulcerative colitis. Bifidogenic probiotics being acid-labile necessitate developing a gastro-resistant formulation for enhancing the delivery of viable cells to the colon. The present study was aimed at developing a fixed-dose unit dosage form of mucoadhesive hydrogel beads loaded with mesalamine and Bifidobacterium bifidum further encapsulated in Eudragit® capsules for the targeted drug delivery at colonic pH. The hydrogel beads were prepared by ionotropic gelation, with the effect of single and dual-crosslinking approaches on various formulation characteristics studied. Standard size 00 Eudragit® gastro-resistant capsules were prepared and the dried beads were filled inside the capsule shells. The formulation was then evaluated for various parameters, including physicochemical characterization, in vitro biocompatibility and anti-inflammatory activity. No interaction was observed between the drug and the polymers, as confirmed through FTIR, XRD, and DSC analysis. The mean particle size of the beads was ~ 457-485 µm. The optimized formulation showed a drug entrapment efficiency of 95.4 ± 2.58%. The Eudragit® capsule shells disintegrated in approximately 13 min at pH 7.4. The mucoadhesive hydrogel beads sustained the drug release above 18 h, with 50% of the drug released by the end of 12 h. The optimized formulation demonstrated significant (p < 0.05) gastro-resistance, biocompatibility, sustained drug release, cell viability, and anti-inflammatory activity.


Assuntos
Bifidobacterium bifidum , Mesalamina , Ácidos Polimetacrílicos , Hidrogéis/farmacologia , Colo , Anti-Inflamatórios/farmacologia
7.
Exp Eye Res ; 237: 109709, 2023 12.
Artigo em Inglês | MEDLINE | ID: mdl-37923162

RESUMO

To determine the effect of zonular forces on lens capsule topography, a finite element (FE) analyses of lens capsules with no lens stroma and constant and variable thickness with anterior capsulotomies of 1.5 mm-6.5 mm were evaluated when subjected to equatorial (Ez), anterior (Az) and posterior (Pz) zonular forces. The lens capsule was considered in the unaccommodated state when the total initial zonular force was 0.00075 N or 0.3 N. From the total 0.00075 N zonular force, the Ez force was increased in 0.000125 N steps for a maximum force of 0.03 N and simultaneously the Az plus Pz force was reduced in 0.000125 N steps to zero. In addition, the force of all the zonules was reduced from 0.00075 N and separately from 0.3 N in 0.000125 N steps to zero. Only when Ez force was increased as Az and Pz force was reduced did the capsule topography simulate in vivo observations with the posterior capsule pole bowing posteriorly. The posterior bowing was directly related to Ez force and capsulotomy size. Whether the total force of all the zonules in the unaccommodated state was 0.00075 N or 0.3 N and reduced in steps to zero, the lens capsule topography did not emulate the in vivo observations. The FE analysis demonstrated that Ez tension increases while the Az and Pz tension decreases and that all the zonules do not relax during ciliary muscle contraction.


Assuntos
Cápsula do Cristalino , Cristalino , Análise de Elementos Finitos , Cristalino/fisiologia , Cápsula do Cristalino/fisiologia , Corpo Ciliar , Músculo Liso
8.
J Environ Manage ; 326(Pt B): 116812, 2023 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-36435123

RESUMO

According to the United Nations International Children's Emergency Fund (UNICEF) assessment report released in 2021, South Asian countries were among the most vulnerable in the world to the effects of climate change on future generations. Hence it is become crucial to assess how resilient the ecosystems are to these changes. The current study incorporated a novel approach, the Combined Ecological Resiliency Indices Approach (CERIA), to assess ecological resiliency status at various scales during hydroclimatic disturbances. Water and carbon use efficiency (WUE and CUE, respectively) were used as indicators for the examination of ecological resilience. The standardized Precipitation Index (SPI) was adopted to assess the initial stage of hydroclimatic disturbances (meteorological drought). A resiliency analysis based on combined Rd and Rd' indices (derived from WUE and CUE, respectively) revealed that just 1.87% land cover area of the entire SAARC (South Asian Association for Regional Cooperation) region's total 17 land cover classes was resilient to meteorological drought. At the river basin scale, only 16.58% of the total 62 river basins were found resilient. Only 11 (27.46%) of the 21 climate classes on the Koppen climate classification scale were resilient to the hydro-climatic disturbance period. To achieve the United Nations sustainable development goals (SDGs goal-2 and goal-13) of 'No Hunger' and 'Protect the Planet', the Joint Ecosystem Resiliency Enhancement Programme (JEREP) should be adopted in land cover, river basins, or climatic classes of the SAARC region that were highly affected.


Assuntos
Ecossistema , Água , Criança , Humanos , Carbono , Rios , Mudança Climática
9.
J Chem Phys ; 156(22): 224501, 2022 Jun 14.
Artigo em Inglês | MEDLINE | ID: mdl-35705396

RESUMO

We report the existence of disparate static and dynamic correlation lengths that could describe the influence of confinement on nanoconfined water (NCW). Various aspects of viscous properties, such as anisotropy and viscoelasticity, of NCW are studied by varying the separation distance "d" between two confining hydrophobic plates. The transverse component of the mean square stress exhibits slow spatial decay (measured from the surface) beyond ∼1.8 nm, which was not reported before. The static correlation length obtained from fitting the exponential decay of the transverse mean-square stress with d is 0.75 nm, while the decay time of the stress-stress time correlation function gives a dynamic correlation length of only 0.35 nm. The shortness of the dynamic correlation length seems to arise from the low sensitivity of orientational relaxation to confinement. In the frequency-dependent viscosity, we observe a new peak at about 50 cm-1 that is not present in the bulk. This new peak is prominent even at 3 nm separations. The peak is absent in the bulk, although it is close to the intermolecular -O-O-O- bending mode well known in liquid water. We further explore the relationship between diffusion and viscosity in NCW by varying d.

10.
BMC Geriatr ; 22(1): 64, 2022 01 19.
Artigo em Inglês | MEDLINE | ID: mdl-35045809

RESUMO

BACKGROUND: The increase in life expectancy has proliferated the number of elderly and subsequently increased the prevalence of disability among the elderly. This study assesses the prevalence of Activity of Daily Living (ADL) and Instrumental Activity of Daily Living (IADL) and analyzes determinants of ADL and IADL among elderly aged 60 and over living in India. METHODS: The study utilized the Longitudinal Ageing Study in India (LASI, 2017-18) data, and information was sought from 31,464 elderly aged 60 years and above. An index of ADL and IADL was created on a scale of three levels, exhibiting no, moderate, or severe levels of ADL/IADL disability. Multinomial logistic regression was used to determine the effect of socio-demographic parameters on ADL and IADL disability among the elderly. RESULTS: Around 3% of the elderly reported severe ADL disability, and 6% elderly reported severe IADL disability. Elderly who were not involved in any physical activity than their counterparts were more likely to report severe ADL (RRR = 2.68, C.I. = 1.66-4.32) and severe IADL (RRR = 2.70, C.I. = 1.98-3.67) than no ADL and no IADL, respectively. CONCLUSION: Amidst the study finding, the study emphasizes the importance of setting-up of geriatric care centers in rural and urban areas. It would be feasible to provide geriatric care under the umbrella of already functioning government health facilities in different parts of the country. Community interventions earmarking the elderly with a focus on physical activity, specifically based in group physical exercise and implemented through existing networks, are rewarding for the elderly.


Assuntos
Pessoas com Deficiência , Atividades Cotidianas , Idoso , Envelhecimento , Humanos , Índia/epidemiologia , Estudos Longitudinais , Pessoa de Meia-Idade , Prevalência
11.
BMC Geriatr ; 22(1): 790, 2022 10 10.
Artigo em Inglês | MEDLINE | ID: mdl-36217103

RESUMO

BACKGROUND: A rising proportion of elderly in India has infused notable challenges to the healthcare system, which is already underdeveloped. On one side, NCDs are increasing among the elderly in India; however, on the other side, CDs are also a cause of concern among the elderly in India. While controlling the outbreak of communicable diseases (CDs) remained a priority, non-communicable diseases (NCDs) are placing an unavoidable burden on the health and social security system. India, a developing nation in South Asia, has seen an unprecedented economic growth in the past few years; however, it struggled to fight the burden of communicable and non-communicable diseases. Therefore, this study aimed at examining the burden of CDs and NCDs among elderly in India. METHODS: Data from Longitudinal Ageing Study in India (LASI Wave-I, 2017-18) were drawn to conduct this study. The LASI is a large-scale nationwide scientific study of the health, economics, and social determinants and implications of India's aged population. The LASI is a nationally representative survey of 72,250 aged 45 and over from all Indian states and union territories. Response variables were the occurrence of CDs and NCDs. The bi-variate and binary logistic regression were used to predict the association between communicable and non-communicable diseases by various socio-demographic and health parameters. Furthermore, to understand the inequalities of communicable and non-communicable diseases in urban and rural areas, the Fairlie decomposition technique was used to predict the contribution toward rural-urban inequalities in CDs and NCDs. RESULTS: Prevalence of communicable diseases was higher among uneducated elderly than those with higher education (31.9% vs. 17.3%); however, the prevalence of non-communicable diseases was higher among those with higher education (67.4% vs. 47.1%) than uneducated elderly. The odds of NCDs were higher among female elderly (OR = 1.13; C.I. = 1-1.27) than their male counterparts. Similarly, the odds of CDs were lower among urban elderly (OR = 0.70; C.I. = 0.62-0.81) than rural elderly, and odds of NCDs were higher among urban elderly (OR = 1.85; C.I. = 1.62-2.10) than their rural counterparts. Results found that education (50%) contributes nearly half of the rural-urban inequality in the prevalence of CDs among the elderly. Education status and current working status were the two significant predictors of widening rural-urban inequality in the prevalence of NCDs among the elderly. CONCLUSION: The burden of both CD and NCD among the elderly population requires immediate intervention. The needs of men and women and urban and rural elderly must be addressed through appropriate efforts. In a developing country like India, preventive measures, rather than curative measures of communicable diseases, will be cost-effective and helpful. Further, focusing on educational interventions among older adults might bring some required changes.


Assuntos
Doenças Transmissíveis , Doenças não Transmissíveis , Idoso , Doenças Transmissíveis/diagnóstico , Doenças Transmissíveis/epidemiologia , Feminino , Humanos , Índia/epidemiologia , Masculino , Doenças não Transmissíveis/epidemiologia , Prevalência , População Rural , Inquéritos e Questionários
12.
Environ Monit Assess ; 195(1): 50, 2022 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-36316488

RESUMO

Cyclonic storms and extreme precipitation lead to loss of lives and significant damage to land and property, crop productivity, etc. The "Gulab" cyclonic storm formed on the 24th of September 2021 in the Bay of Bengal (BoB), hit the eastern Indian coasts on the 26th of September and caused massive damage and water inundation. This study used Integrated Multi-satellite Retrievals for GPM (IMERG) satellite precipitation data for daily to monthly scale assessments focusing on the "Gulab" cyclonic event. The Otsu's thresholding approach was applied to Sentinel-1 data to map water inundation. Standardized Precipitation Index (SPI) was employed to analyze the precipitation deviation compared to the 20 years mean climatology across India from June to November 2021 on a monthly scale. The water-inundated areas were overlaid on a recent publicly available high-resolution land use land cover (LULC) map to demarcate crop area damage in four eastern Indian states such as Andhra Pradesh, Chhattisgarh, Odisha, and Telangana. The maximum water inundation and crop area damages were observed in Andhra Pradesh (~2700 km2), followed by Telangana (~2040 km2) and Odisha (~1132 km2), and the least in Chhattisgarh (~93.75 km2). This study has potential implications for an emergency response to extreme weather events, such as cyclones, extreme precipitation, and flood. The spatio-temporal data layers and rapid assessment methodology can be helpful to various users such as disaster management authorities, mitigation and response teams, and crop insurance scheme development. The relevant satellite data, products, and cloud-computing facility could operationalize systematic disaster monitoring under the rising threats of extreme weather events in the coming years.


Assuntos
Clima Extremo , Monitoramento Ambiental/métodos , Inundações , Produtos Agrícolas , Água , Tempo (Meteorologia)
13.
Environ Monit Assess ; 194(12): 897, 2022 Oct 17.
Artigo em Inglês | MEDLINE | ID: mdl-36251087

RESUMO

The leaf area index (LAI) has been traditionally used as a photosynthetic variable. LAI plays an essential role in forest cover monitoring and has been identified as one of the important climate variables. However, due to challenges in field sampling, complex topography, and availability of cloud-free optical satellite data, LAI assessment on larger scale is still unexplored in the Sikkim Himalayan area. We used two optical instruments, digital hemispherical photography (DHP) and LAI-2200C, to assess the LAI across four different forests following 20 × 20 m2 elementary sampling units (ESUs) in the Himalayan state of Sikkim, India. The use of Sentinel-2 derived vegetation indices (VIs) demonstrated a better correlation with the DHP based LAI estimates than using LAI-2200C. Further, the combination of both reflectance bands and VIs were integrated to predict the LAI maps using random forest model. The temperate evergreen forests demonstrated the highest LAI value, while the predicted maps exhibited LAI maxima of 3.4. The estimated vs predicted LAI for DHP and LAI-2200C based estimation demonstrated reasonably good (R2 = 0.63 and R2 = 0.68, respectively) agreement. Further, improvements on the LAI prediction can be attempted by minimizing errors from the inherent field protocols, optimizing the density of field measurements, and representing heterogeneity. The recent rise of frequent forest fires in Sikkim Himalaya prompts for better understanding of fuel load in terms of surface fuel or canopy fuel that can be linked to LAI. The high-resolution LAI map could serve as input to forest fuel bed characterization, especially in seasonal forests with significant variations in green leaves and litter, thereby offering inputs for forest management in changing climate.


Assuntos
Monitoramento Ambiental , Folhas de Planta , Monitoramento Ambiental/métodos , Índia , Fotografação , Siquim
14.
J Ethn Subst Abuse ; : 1-20, 2022 Dec 29.
Artigo em Inglês | MEDLINE | ID: mdl-36579708

RESUMO

The consumption pattern of alcohol varies between cultures and different communities. Moreover, alcohol consumption pattern depends on age, religion, education, type of drink, and other socio-economic parameters. Alcohol use has reportedly declined in most developed counties, but developing countries still witnessed an increasing trend. The study investigated socio-economic drivers, nature, and patterns of alcohol use among adult men in India. We have also investigated the state-level alcohol prevalence in India better to understand the impact of state-level alcohol prohibition policies. We have retrieved the data from the National Family Health survey's fourth and fifth-round, which was conducted in 2015-2016 and 2020-2021, respectively. We used the bi-variate technique to estimate that percentage of men who consume alcohol. Furthermore, a multivariate logistic regression model was applied to assess the association of each background characteristic with alcohol consumption. It is observed that 19 percent of men aged 15 and above currently drink alcohol, including 20 percent in rural and 17 percent in urban areas. The consumption of tadi/madi/country liquor/homemade liquor was high in rural areas than in urban areas in both rounds of the survey. Additionally, beer or wine consumption is higher in urban areas than in rural areas in NFHS-4 and NFHS-5. Among the 35-49 years of age group, around 6 and 8 times more likely to consume alcohol in NFHS-4 and NFHS-5, respectively. Rural men were 18 and one percent less likely to consume alcohol in NFHS-4 & 5 compared to urban (OR: 0.82 and 0.99 in NFHS-4 & 5 respectively). Despite an overall reduction in alcohol consumption among men, lowering alcohol consumption remains the main priority of policymakers. There is a need to target the most vulnerable socio-economic segments where alcohol consumption is still a problem, one of the primary reasons for violence against women.

15.
Bioorg Med Chem ; 46: 116354, 2021 09 15.
Artigo em Inglês | MEDLINE | ID: mdl-34428715

RESUMO

Type 2 Diabetes Mellitus (T2DM) is one of the highly prevalence disorder and increasing day by day worldwidely. T2DM is a metabolic disorder, which is characterized by deficiency in insulin or resistance to insulin and thus increases the glucose levels in the blood. Various approaches are there to treat diabetes but still there is no cure for this disease. DPP-4 inhibitor is a privileged target in the field of drug discovery and provides various opportunities in exploring this target for development of molecules as antidiabetic agents. DPP-4 acts by inhibiting the incretin action and thus decreases the level of blood glucose by imparting minimal side effects. Sitagliptin, vildagliptin, linagliptin etc. are the different DPP-4 based drugs approved throughout the world for the treatment of diabetes mellitus. Cyanopyrrolidines, triazolopiperazine amide, pyrrolidines are basic core nucleus present in various DPP-4 inhibitors and has potential effects. In the past few years, researchers had applied various approaches to synthesize potent DPP-4 inhibitors as antidiabetic agent without side effects like weight gain, cardiovascular risks, retinopathy etc. This review will also emphasize the recent strategies and rationale utilized by researchers for the development of DPP-4 inhibitors. This review also reveals about the various other approaches like molecular modelling, ligand based drug designing, high throughput screening etc. are used by the various research group for the development of potential DPP-4 inhibitors.


Assuntos
Diabetes Mellitus Tipo 2/tratamento farmacológico , Dipeptidil Peptidase 4/metabolismo , Inibidores da Dipeptidil Peptidase IV/farmacologia , Desenho de Fármacos , Hipoglicemiantes/farmacologia , Diabetes Mellitus Tipo 2/metabolismo , Inibidores da Dipeptidil Peptidase IV/síntese química , Inibidores da Dipeptidil Peptidase IV/química , Humanos , Hipoglicemiantes/síntese química , Hipoglicemiantes/química
16.
BMC Geriatr ; 21(1): 725, 2021 12 18.
Artigo em Inglês | MEDLINE | ID: mdl-34922495

RESUMO

BACKGROUND: Food Insecurity (FI) is a crucial social determinant of health, independent of other socioeconomic factors, as inadequate food resources create a threat to physical and mental health especially among older person. The present study explores the associations between FI and cognitive ability among the aged population in India. METHODS: To measure the cognitive functioning we have used two proxies, word recall and computational problem. Descriptive analysis and multivariable logistic regression was used to understand the prevalence of word recall and computational problem by food security and some selected sociodemographic parameters. All the results were reported at 95% confidence interval. RESULTS: We have used the data from the first wave of longitudinal ageing study of India (LASI), with a sample of 31,464 older persons 60 years and above. The study identified that 17 and 5% of the older population in India experiencing computational and word recall problem, respectively. It was found that respondents from food secure households were 14% less likely to have word recall problems [AOR:0.86, 95% CI:0.31-0.98], and 55% likely to have computational problems [AOR:0.45, 95% CI:0.29-0.70]. We also found poor cognitive functioning among those experiencing disability, severe ADL, and IADL. Further, factors such as age, education, marital status, working status, health related factors were the major contributors to the cognitive functioning in older adults. CONCLUSION: This study suggest that food insecurity is associated with a lower level of cognition among the elderly in India, which highlight the need of food policy and interventional strategies to address food insecurity, especially among the individuals belonging to lower wealth quintiles. Furthermore, increasing the coverage of food distribution may also help to decrease the burden of disease for the at most risk population. Also, there is a need for specific programs and policies that improve the availability of nutritious food among elderly.


Assuntos
Insegurança Alimentar , Abastecimento de Alimentos , Idoso , Idoso de 80 Anos ou mais , Cognição , Estudos Transversais , Humanos , Índia/epidemiologia , Fatores Socioeconômicos
17.
BMC Public Health ; 21(1): 545, 2021 03 19.
Artigo em Inglês | MEDLINE | ID: mdl-33740942

RESUMO

BACKGROUND: Globally, about 25% of children suffer from subclinical vitamin A deficiency (VAD), and approximately 300 million children globally had anemia as per 2011 estimates. Micronutrient deficiencies are generally referred to as "hidden hunger" because these deficiencies developed gradually. The present study determines the socio-economic inequalities in vitamin A supplementation (VAS) and Iron supplementation (IS) among children aged 6-59 months in India and to estimate the change in the percent contribution of different socio-economic correlates for such inequality from 2005 to 06 to 2015-16. METHODS: Data from National Family Health Survey (NFHS) 2005-06 and 2015-16 was used for the analysis. Bivariate analysis and logistic regression analysis was used to carve out the results. Moreover, Wagstaff decomposition analysis was used to find the factors which contributed to explain socio-economic status-related inequality among children in India. RESULTS: It was revealed that the percentage of children who do not receive vitamin A supplementation was reduced from 85.5% to 42.1%, whereas in the case of IS, the percentage reduced from 95.3% to 73.9% from 2005-06 to 2015-16 respectively. The child's age, mother's educational status, birth order, breastfeeding status, place of residence and empowered action group (EAG) status of states were the factors that were significantly associated with vitamin A supplementation and iron supplementation among children in India. Moreover, it was found the children who do not receive vitamin A supplementation and iron supplementation got more concentrated among lower socio-economic strata. A major contribution for explaining the gap for socio-economic status (SES) related inequality was explained by mother's educational status, household wealth status, and empowered action group status of states for both vitamin A supplementation and iron supplementation among children aged 6-59 months in India. CONCLUSION: Schemes like the Integrated Child Development Scheme (ICDS) would play a significant role in reducing the socio-economic status-related gap for micro-nutrient supplementation among children in India. Proper implementation of ICDS will be enough for reducing the gap between rich and poor children regarding micro-nutrient supplementation.


Assuntos
Suplementos Nutricionais , Nutrientes , Criança , Pré-Escolar , Inquéritos Epidemiológicos , Humanos , Índia/epidemiologia , Lactente , Fatores Socioeconômicos
18.
Bioorg Chem ; 104: 104266, 2020 11.
Artigo em Inglês | MEDLINE | ID: mdl-33142421

RESUMO

Replication proteins are sought as a potential targets for antimicrobial agents. Despite their promising target characteristics, only topoisomerase II inhibitors targeting DNA gyrase and/or topoisomerase IV have reached clinical use. Topoisomerases are the enzymes that are essential for cellular functions and various biological activities. A wide range of natural and synthetic compounds have been identified as potential topoisomerase inhibitors but the resistance is most commonly found in these drugs. The emergence of FQ resistance has increased the need for the development of novel topoisomerase inhibitors with efficacy and high potency against FQ-resistant strains. Besides structural modifications of existing FQ scaffolds, novel non-quinolone topoisomerase II inhibitors, known as novel bacterial topoisomerase inhibitors, have been developed which showed remarkable inhibitory activity against DNA gyrase/topoisomerase IV or both with an improved spectrum of antibacterial potency including drug-resistant strains. This review aims to summarize various recent advancements in the medicinal chemistry of topoisomerase inhibitors with the following objectives: (1) To represent inclusive data on types of topoisomerases and various marketed topoisomerase inhibitors as drugs; (2) To discuss the recent advances in the medicinal chemistry of various topoisomerase inhibitors (DNA gyrase and topo IV) belonging to different structural classes as potential antibacterial agents; (3) To summarizes the structure activity relationship (SAR) including in silico and mechanistic studies to afford ideas and to provide focused direction for the development of new chemical entities which are effective against drug-resistant bacterial pathogens and biofilms.


Assuntos
Antibacterianos/farmacologia , DNA Topoisomerases Tipo II/metabolismo , Inibidores da Topoisomerase II/farmacologia , Antibacterianos/química , Química Farmacêutica , Relação Dose-Resposta a Droga , Estrutura Molecular , Relação Estrutura-Atividade , Inibidores da Topoisomerase II/química
19.
Bioorg Chem ; 97: 103668, 2020 04.
Artigo em Inglês | MEDLINE | ID: mdl-32106040

RESUMO

Benzodiazepines (BZDs) represent a diverse class of bicyclic heterocyclic molecules. In the last few years, benzodiazepines have emerged as potential therapeutic agents. As a result, several mild, efficient and high yielding protocols have been developed that offer access to various functionalized benzodiazepines (BZDs). They are known to possess a wide array of biological activities such as anxiolytic, anticancer, anticonvulsant, antipsychotics, muscle relaxant, anti-tuberculosis, and antimicrobial activities. The fascinating spectrum of biological activities exhibited by BZDs in various fields has prompted the medicinal chemist to design and discover novel benzodiazepine-based analogs as potential therapeutic candidates with the desired biological profile. In this review, an attempt has been made by to summarize (1) Recent advances in the synthetic chemistry of benzodiazepines which enable their synthesis with desired substitution pattern; (2) Medicinal chemistry of BZDs as therapeutic candidates with promising biological profile including insight of mechanistic studies; (3) The correlation of biological data with the structure i.e. structure-activity relationship studies were also included to provide an insight into the rational design of more active agents.


Assuntos
Benzodiazepinas/síntese química , Benzodiazepinas/farmacologia , Animais , Anti-Infecciosos/síntese química , Anti-Infecciosos/química , Anti-Infecciosos/farmacologia , Anticonvulsivantes/síntese química , Anticonvulsivantes/química , Anticonvulsivantes/farmacologia , Antineoplásicos/síntese química , Antineoplásicos/química , Antineoplásicos/farmacologia , Benzodiazepinas/química , Técnicas de Química Sintética/métodos , Química Farmacêutica , Humanos , Relação Estrutura-Atividade
20.
J Chem Phys ; 152(16): 164507, 2020 Apr 30.
Artigo em Inglês | MEDLINE | ID: mdl-32357772

RESUMO

Aqueous binary mixtures often exhibit dramatic departure from the predicted hydrodynamic behavior when transport properties are plotted against composition. We show by inherent structure (IS) analysis that this sharp composition dependent breakdown of the Stokes-Einstein relation can be attributed to the non-monotonic variation in the average inherent structure energy of these mixtures. Further IS analysis reveals the existence of a unique ground state, stabilized by both the formation of an optimum number of H-bonds and a favorable hydrophobic interaction at this composition. The surprisingly sharp turnaround behavior observed in the effective hydrodynamic radius also owes its origin to the same combination of these two factors. Interestingly, the temperature dependence of isothermal compressibility shows a minimum at the particular composition. Extensive studies on water-dimethyl sulfoxide and water-ethanol mixtures using two different force-fields of water reveal many features that are nearly universal. A justification of this quasi-universal behavior is provided in terms of a mode-coupling theory (MCT) of viscosity, which can serve as the starting point of a remarkable correlation observed with the nearest neighbor structure, as captured by the first peaks of the radial distribution function, and the slowdown in the intermediate scattering function at intermediate wavenumbers. Therefore, the formation of the local structure captured through IS analysis can be correlated with the MCT.

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