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  1. Article ; Online: Non-carcinogenic health risk assessment with source identification of nitrate and fluoride polluted groundwater of Wardha sub-basin, central India.

    Nawale, V P / Malpe, D B / Marghade, Deepali / Yenkie, Rajshree

    Ecotoxicology and environmental safety

    2020  Volume 208, Page(s) 111548

    Abstract: In order to understand the pollution status of groundwater with geochemical evolution and appraisal of its probable public health risk due to nitrate ( ... ...

    Abstract In order to understand the pollution status of groundwater with geochemical evolution and appraisal of its probable public health risk due to nitrate (NO
    MeSH term(s) Calcium Carbonate ; Carbonates ; Child ; Environmental Monitoring ; Female ; Fluorides/analysis ; Fluorides/toxicity ; Groundwater/analysis ; Groundwater/chemistry ; Humans ; India ; Ion Exchange ; Magnesium ; Nitrates/analysis ; Nitrates/toxicity ; Risk Assessment ; Water Pollutants, Chemical/analysis ; Water Pollutants, Chemical/toxicity
    Chemical Substances Carbonates ; Nitrates ; Water Pollutants, Chemical ; Calcium Carbonate (H0G9379FGK) ; Magnesium (I38ZP9992A) ; Fluorides (Q80VPU408O) ; calcium magnesium carbonate (UG9H2002BF)
    Language English
    Publishing date 2020-11-11
    Publishing country Netherlands
    Document type Journal Article
    ZDB-ID 436536-7
    ISSN 1090-2414 ; 0147-6513
    ISSN (online) 1090-2414
    ISSN 0147-6513
    DOI 10.1016/j.ecoenv.2020.111548
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Synthesis and Pharmacological Evaluation of Tetrazolobenzimidazoles as Novel Anti-inflammatory Agents.

    Kale, Mayura A / Nawale, Rajesh B / Peharkar, Manjiri R / Kuberkar, Sharad V

    Anti-inflammatory & anti-allergy agents in medicinal chemistry

    2016  Volume 15, Issue 2, Page(s) 118–126

    Abstract: Background: Currently used anti-inflammatory drugs are associated with some severe side effects such as gastric irritation, which may range from simple discomfort to ulcer formation. Therefore, the development of potent anti-inflammatory drugs with ... ...

    Abstract Background: Currently used anti-inflammatory drugs are associated with some severe side effects such as gastric irritation, which may range from simple discomfort to ulcer formation. Therefore, the development of potent anti-inflammatory drugs with fewer side effects is important. Benzimidazole, tetrazole and its various derivatives have been used in the synthesis of numerous heterocyclic compounds. In the past few decades, these compounds received much attention due to their diverse array of biological activities. As these heterocycles are known to possess anti-inflammatory activity individually, we thought it worthwhile to link these heterocycles, synthesize them and evaluate for possible changes in this anti-inflammatory activity.
    Methods: Novel benzimidazole linked tetrazole compound 2-{[2-(1H-tetrazole-5-yl)ethyl] sulfanyl}-1,3-benzimidazole (3) was synthesized by cyclization of 3-(1,3-benzimidazol-2-ylsulfanyl) propanenitrile in presence of sodium azide. A series of tetrazolobenzimidazole derivatives (3a-h) were synthesized by the reaction of compound (3) with acid chlorides. All the synthesized compounds were subjected to structural elucidation by IR, 1H-NMR spectroscopy, Mass spectrometry and elemental analyses. The newly synthesized compounds were screened for anti-inflammatory activity by carrageenan-induced paw oedema method in albino rats.
    Results: Compounds (3a, 3c, 3g) which contain acetyl, benzoyl and benzoyl moieties; respectively at N-1of tetrazole exhibited anti-inflammatory activities comparable with standard drug diclofenac. Other compounds exhibited anti-inflammatory activity less than the standard. The differences between control and treatment group were tested using one way ANOVA followed by Dunnett's test. A probability value less than 0.01 was considered to be statistically significant. The GraphPad Instat 3.0 version was used for statistical analysis.
    Conclusion: Synthesized compounds having anti-inflammatory activity better than standard were found to be 1-{5-[2-(benzimidazol-2-yl-sulfanyl)ethyl]-2H-tetrazol-2yl}methanone (3c) and 1-{5-[5-methoxy-2-(benzimidazol-2-yl-sulfanyl)ethyl]-2H-tetrazol-2yl}methanone (3g) and the compounds (3a, 3e, 3f) were found to exhibit anti-inflammatory activity comparable to that of standard. All the compounds were found to cause less gastric ulceration than the standard drug diclofenac.
    MeSH term(s) Animals ; Anti-Inflammatory Agents/chemical synthesis ; Anti-Inflammatory Agents/pharmacology ; Anti-Inflammatory Agents/toxicity ; Benzimidazoles/chemical synthesis ; Benzimidazoles/pharmacology ; Benzimidazoles/toxicity ; Carrageenan ; Diclofenac/pharmacology ; Diclofenac/toxicity ; Disease Models, Animal ; Dose-Response Relationship, Drug ; Drug Design ; Drug Discovery/methods ; Edema/chemically induced ; Edema/prevention & control ; Mass Spectrometry ; Molecular Structure ; Proton Magnetic Resonance Spectroscopy ; Rats, Wistar ; Spectrophotometry, Infrared ; Stomach Ulcer/chemically induced ; Structure-Activity Relationship ; Tetrazoles/chemical synthesis ; Tetrazoles/pharmacology ; Tetrazoles/toxicity
    Chemical Substances Anti-Inflammatory Agents ; Benzimidazoles ; Tetrazoles ; Diclofenac (144O8QL0L1) ; 1H-tetrazole (288-94-8) ; Carrageenan (9000-07-1) ; benzimidazole (E24GX49LD8)
    Language English
    Publishing date 2016
    Publishing country United Arab Emirates
    Document type Comparative Study ; Journal Article
    ZDB-ID 2227189-2
    ISSN 1875-614X ; 1871-5230
    ISSN (online) 1875-614X
    ISSN 1871-5230
    DOI 10.2174/1871523015666160915153904
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Zinc-aceclofenac complex: synthesis, hydrolysis study and antiinflammatory studies.

    Kale, Mayura A / Shelke, Rupesh / Nawale, Rajesh B

    Anti-inflammatory & anti-allergy agents in medicinal chemistry

    2014  Volume 13, Issue 1, Page(s) 36–44

    Abstract: Aceclofenac, a nonsteroidal anti-inflammatory drug, has a propensity to cause gastric ulcers, while zinc ions are known to possess anti-ulcer and anti-inflammatory activities. With a view to reduce the gastroenteropathies associated with aceclofenac, its ...

    Abstract Aceclofenac, a nonsteroidal anti-inflammatory drug, has a propensity to cause gastric ulcers, while zinc ions are known to possess anti-ulcer and anti-inflammatory activities. With a view to reduce the gastroenteropathies associated with aceclofenac, its zinc complex was prepared and characterized using spectroscopy and differential scanning calorimetry. In vitro hydrolysis study showed that zinc complex of aceclofenac is more stable in HCl buffer (pH 1.2) than in phosphate buffer (pH 7.4) indicating the stability of the complex in stomach. In silico testing of the aceclofenac and its complex using PASS (Prediction of activity spectra of substances) software revealed that the complex might possess antiinflammatory activity which was confirmed by carrageenan-induced rat paw edema test. It has been found that antiinflammatory activity of this complex is comparable with that of parent drug along with reduction in ulcer index. Thus, the use of complex is suggested to be more preferable than aceclofenac alone.
    MeSH term(s) Animals ; Anti-Inflammatory Agents, Non-Steroidal/administration & dosage ; Anti-Inflammatory Agents, Non-Steroidal/chemical synthesis ; Anti-Inflammatory Agents, Non-Steroidal/pharmacology ; Carrageenan/immunology ; Chemistry, Pharmaceutical/methods ; Computer Simulation ; Diclofenac/administration & dosage ; Diclofenac/adverse effects ; Diclofenac/analogs & derivatives ; Diclofenac/chemical synthesis ; Diclofenac/pharmacology ; Edema/chemically induced ; Edema/complications ; Edema/drug therapy ; Female ; Hydrolysis ; Male ; Rats ; Rats, Wistar ; Spectrum Analysis ; Stomach Ulcer/etiology ; Stomach Ulcer/prevention & control ; Zinc/administration & dosage ; Zinc/chemistry ; Zinc/pharmacology
    Chemical Substances Anti-Inflammatory Agents, Non-Steroidal ; Diclofenac (144O8QL0L1) ; Carrageenan (9000-07-1) ; Zinc (J41CSQ7QDS) ; aceclofenac (RPK779R03H)
    Language English
    Publishing date 2014-01-28
    Publishing country United Arab Emirates
    Document type Journal Article
    ZDB-ID 2227189-2
    ISSN 1875-614X ; 1871-5230
    ISSN (online) 1875-614X
    ISSN 1871-5230
    DOI 10.2174/1871523013999140130121134
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: <I>In silico</I> Studies, Synthesis and Antitubercular Activity of Some Novel Quinoline - Azitidinone Derivatives.

    Chitre, Trupti S / Asgaonkar, Kalyani D / Vikhe, Amrut B / Patil, Shital M / Garud, Dinesh R / Khedkar, Vijay M / Sarkar, Dhiman / Nawale, Laxman U / Yeware, Amar

    Current computer-aided drug design

    2020  Volume 17, Issue 1, Page(s) 134–143

    Abstract: ... models generated by the SA-MLR method for 2D QSAR exhibited r: Conclusion: The present study has shown ...

    Abstract Background: Diarylquinolines like Bedaquiline have shown promising antitubercular activity by their action of Mycobacterial ATPase.
    Objective: The structural features necessary for a good antitubercular activity for a series of quinoline derivatives were explored through computational chemistry tools like QSAR and combinatorial library generation. In the current study, 3-Chloro-4-(2-mercaptoquinoline-3-yl)-1- substitutedphenylazitidin-2-one derivatives have been designed and synthesized based on molecular modeling studies as anti-tubercular agents.
    Methods: 2D and 3D QSAR analyses were used to designed compounds having a quinoline scaffold. The synthesized compounds were evaluated against active and dormant strains of Mycobacterium tuberculosis (MTB) H37 Ra and Mycobacterium bovis BCG. The compounds were also tested for cytotoxicity against MCF-7, A549 and Panc-1 cell lines using MTT assay. The binding affinity of designed compounds was gauged by molecular docking studies.
    Results: Statistically significant QSAR models generated by the SA-MLR method for 2D QSAR exhibited r
    Conclusion: The present study has shown some promising results which can be further explored for lead generation.
    MeSH term(s) A549 Cells ; Antitubercular Agents/chemical synthesis ; Antitubercular Agents/chemistry ; Antitubercular Agents/pharmacology ; Cell Line, Tumor ; Computer Simulation ; Humans ; MCF-7 Cells ; Microbial Sensitivity Tests ; Models, Molecular ; Molecular Docking Simulation ; Mycobacterium tuberculosis/drug effects ; Quantitative Structure-Activity Relationship ; Quinolines/chemical synthesis ; Quinolines/chemistry ; Quinolines/pharmacology
    Chemical Substances Antitubercular Agents ; Quinolines
    Language English
    Publishing date 2020-01-24
    Publishing country United Arab Emirates
    Document type Journal Article
    ISSN 1875-6697
    ISSN (online) 1875-6697
    DOI 10.2174/1573409916666200129095952
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: New bithiazolyl hydrazones: Novel synthesis, characterization and antitubercular evaluation.

    Bhalerao, Mahendra B / Dhumal, Sambhaji T / Deshmukh, Amarsinh R / Nawale, Laxman U / Khedkar, Vijay / Sarkar, Dhiman / Mane, Ramrao A

    Bioorganic & medicinal chemistry letters

    2017  Volume 27, Issue 2, Page(s) 288–294

    Abstract: ... cyclocondensation of 5-acyl thiazoles (1a-b), thiosemicarbazide (2) and substituted phenacyl chlorides (4a-f ...

    Abstract New bithiazolyl hydrazones (6a-l) have been first time synthesized by carrying novel one pot cyclocondensation of 5-acyl thiazoles (1a-b), thiosemicarbazide (2) and substituted phenacyl chlorides (4a-f) in freshly prepared ionic liquid, diisopropyl ethyl ammonium acetate (DIPEAc) at room temperature. The newly synthesized compounds have been evaluated for their antitubercular activity and the compounds 3b, 6a, 6b, 6d, 6e, 6f, 6g, and 6l have displayed noticeable antitubercular activity compared to Rifampicin with tolerable cytotoxicity. All these compounds were also screened for their antibacterial activity and found that, compounds 6j and 6k have exhibited a very good antibacterial activity. Molecular docking study has shown better harmony with the evaluation trend shown by these compounds under in vitro antitubercular screening.
    MeSH term(s) Antitubercular Agents/chemical synthesis ; Antitubercular Agents/chemistry ; Antitubercular Agents/pharmacology ; Dose-Response Relationship, Drug ; Hydrazones/chemical synthesis ; Hydrazones/chemistry ; Hydrazones/pharmacology ; Microbial Sensitivity Tests ; Molecular Docking Simulation ; Molecular Structure ; Mycobacterium/drug effects ; Mycobacterium bovis/drug effects ; Structure-Activity Relationship ; Thiazoles/chemical synthesis ; Thiazoles/chemistry ; Thiazoles/pharmacology
    Chemical Substances Antitubercular Agents ; Hydrazones ; Thiazoles
    Language English
    Publishing date 2017--15
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 1063195-1
    ISSN 1464-3405 ; 0960-894X
    ISSN (online) 1464-3405
    ISSN 0960-894X
    DOI 10.1016/j.bmcl.2016.11.056
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Anti-proliferative effect of novel primary cetyl alcohol derived sophorolipids against human cervical cancer cells HeLa.

    Laxman Nawale / Parul Dubey / Bhushan Chaudhari / Dhiman Sarkar / Asmita Prabhune

    PLoS ONE, Vol 12, Iss 4, p e

    2017  Volume 0174241

    Abstract: ... cervical cancer cells. Antiproliferative effect of column purified SLCA fractions (A, B, C, D, E and F) was ... examined in panel of human cancer cell lines as well as primary cells. Among these fractions, SLCA B and C ... tail differing in the degree of acetylation on sophorose head group. At an IC50 concentration SLCA B ...

    Abstract Sophorolipids (SLs) are glycolipid biosurfactants that have been shown to display anticancer activity. In the present study, we report anti-proliferative studies on purified forms of novel SLs synthesized using cetyl alcohol as the substrate (referred as SLCA) and their anticancer mechanism in human cervical cancer cells. Antiproliferative effect of column purified SLCA fractions (A, B, C, D, E and F) was examined in panel of human cancer cell lines as well as primary cells. Among these fractions, SLCA B and C significantly inhibited the survival of HeLa and HCT 116 cells without affecting the viability of normal human umbilical vein endothelial cells (HUVEC). The two fractions were identified as cetyl alcohol sophorolipids with non-hydroxylated tail differing in the degree of acetylation on sophorose head group. At an IC50 concentration SLCA B (16.32 μg ml-1) and SLCA C (14.14 μg ml-1) blocked the cell cycle progression of HeLa cells at G1/S phase in time-dependent manner. Moreover, SLCA B and SLCA C induced apoptosis in HeLa cells through an increase in intracellular Ca2+ leading to depolarization of mitochondrial membrane potential and increase in the caspase-3, -8 and -9 activity. All these findings suggest that these SLCAs could be explored for their chemopreventive potential in cervical cancer.
    Keywords Medicine ; R ; Science ; Q
    Language English
    Publishing date 2017-01-01T00:00:00Z
    Publisher Public Library of Science (PLoS)
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  7. Article: Non-enzymatic glycation of proteins: a cause for complications in diabetes.

    Nawale, R B / Mourya, V K / Bhise, S B

    Indian journal of biochemistry & biophysics

    2006  Volume 43, Issue 6, Page(s) 337–344

    Abstract: Diabetes mellitus is one of the most common non-communicable diseases, and is the fifth leading cause of death in most of the developed countries. It can affect nearly every organ and system in the body and may result in blindness, end stage renal ... ...

    Abstract Diabetes mellitus is one of the most common non-communicable diseases, and is the fifth leading cause of death in most of the developed countries. It can affect nearly every organ and system in the body and may result in blindness, end stage renal disease, lower extremity amputation and increase risk of stroke, ischaemic heart diseases and peripheral vascular disease. Hyperglycemia in diabetes causes non-enzymatic glycation of free amino groups of proteins (of lysine residues) and leads to their structural and functional changes, resulting in complications of the diabetes. Glycation of proteins starts with formation of Shiff's base, followed by intermolecular rearrangement and conversion into Amadori products. When large amounts of Amadori products are formed, they undergo cross linkage to form a heterogeneous group of protein-bound moieties, termed as advanced glycated end products (AGEs). Rate of these reactions are quite slow and only proteins with large amounts of lysine residues undergo glycation with significant amounts of AGEs. The formation of AGEs is a irreversible process, causing structural and functional changes in protein leading to various complications in diabetes like nephropathy, retinopathy, neuropathy and angiopathy. The present review discusses about role of glycation in various complications of diabetes.
    MeSH term(s) Animals ; Diabetes Complications/etiology ; Diabetes Complications/metabolism ; Diabetes Mellitus/metabolism ; Glycosylation ; Humans ; Proteins/metabolism
    Chemical Substances Proteins
    Language English
    Publishing date 2006-12
    Publishing country India
    Document type Journal Article ; Review
    ZDB-ID 121689-2
    ISSN 0975-0959 ; 0301-1208
    ISSN (online) 0975-0959
    ISSN 0301-1208
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Numerical Investigation of Spatial Effects on the Silicon Solar Cell

    A.B. Nawale / R.A. Kalal / A.R. Chavan / T.D. Dongale / R.K. Kamat

    Journal of Nano- and Electronic Physics, Vol 8, Iss 2, Pp 02002-1-02002-

    2016  Volume 4

    Abstract: Investigating the effect of device dimension on the silicon solar cell, by using the PC1D numerical simulation environment, we report strong correlation of efficiency of the silicon solar cell with its size. The results showcase finer efficiency at the ... ...

    Abstract Investigating the effect of device dimension on the silicon solar cell, by using the PC1D numerical simulation environment, we report strong correlation of efficiency of the silicon solar cell with its size. The results showcase finer efficiency at the lower n-type thickness and higher p-type thickness. The internal quantum efficiency (IQE) and external quantum efficiency (EQE) too exhibit variation with the device size. As a whole, based on the statistical analysis, especially regression, variance, and best subsets selection, the paper depicts that the p-type thickness, ISC and VOC are the preeminent parameters to model the silicon solar cell.
    Keywords Silicon solar cell ; Numerical simulation ; Statistical analysi ; Electricity and magnetism ; QC501-766 ; Physics ; QC1-999 ; Science ; Q
    Language English
    Publishing date 2016-06-01T00:00:00Z
    Publisher Sumy State University
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  9. Article: Impact of over-exploitation on groundwater quality: A case study from WR-2 Watershed, India

    Pophare, Anil M / Lamsoge, Bhushan R / Katpatal, Yashwant B / Nawale, Vijay P

    Journal of earth system science. 2014 Oct., v. 123, no. 7

    2014  

    Abstract: The WR-2 watershed is located in the Deccan trap basaltic terrain of Maharashtra State, India. The watershed area incorporates a rich orange orchard belt that requires a huge quantity of water for irrigation. This requirement is mostly met through ... ...

    Abstract The WR-2 watershed is located in the Deccan trap basaltic terrain of Maharashtra State, India. The watershed area incorporates a rich orange orchard belt that requires a huge quantity of water for irrigation. This requirement is mostly met through groundwater, extracted from the shallow aquifers of the WR-2 watershed. However, over the years, excess withdrawal of groundwater from these aquifers has resulted in depletion of groundwater level. The declining trends of groundwater level, both long term and short term, have had a negative impact on the groundwater quality of the study area. This effect can be gauged through the rising electrical conductivity (EC) of groundwater in the shallow aquifers (dug wells) of the WR-2 watershed. It is observed that the long term declining trend of groundwater level, during 1977–2010, varied from 0.03 to 0.04 m per year, whereas the corresponding trend of rising EC varied from 1.90 to 2.94 μS/cm per year. During 2007–2010, about 56% dug wells showed a positive correlation between depleting groundwater level and rising EC values. The groundwater level depletion during this period ranged from 0.03 to 0.67 m per year, whereas the corresponding trend of rising EC ranged from 0.52 to 46.91 μS/cm per year. Moreover, the water quality studies reveal that groundwater from more than 50% of the dug wells of the WR-2 watershed is not suitable for drinking purpose. The groundwater, though mostly suitable for irrigation purpose, is corrosive and saturated with respect to mineral equilibrium and shows a tendency towards chemical scale formation.
    Keywords aquifers ; case studies ; drinking water ; earth system science ; electrical conductivity ; groundwater ; groundwater extraction ; irrigation ; irrigation water ; water quality ; water quantity ; water table ; watersheds ; wells ; India
    Language English
    Dates of publication 2014-10
    Size p. 1541-1566.
    Publishing place Springer-Verlag
    Document type Article
    ZDB-ID 2081712-5
    ISSN 0973-774X ; 0253-4126
    ISSN (online) 0973-774X
    ISSN 0253-4126
    DOI 10.1007/s12040-014-0478-0
    Database NAL-Catalogue (AGRICOLA)

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  10. Article ; Online: STRESS DEGRADATION STUDIES OF DRONEDARONE IN PHARMACEUTICAL DOSAGE FORM BY A VALIDATED STABILITY-INDICATING LC METHOD

    V. K AHIRRAO / C. S PATIL / S. R BEMBALKAR / M. V KATARIYA / V. S SONNEKAR / R. P MARATHE / R. B NAWALE / R. P PAWAR

    Journal of the Chilean Chemical Society, Vol 57, Iss 3, Pp 1272-

    2012  Volume 1276

    Abstract: A simple, rapid, and precise method is developed for the quantitative estimation of dronedarone hydrochloride in presence of its degradants which are formed due to stress conditions. A chromatographic separation of the dronedarone and its degradants were ...

    Abstract A simple, rapid, and precise method is developed for the quantitative estimation of dronedarone hydrochloride in presence of its degradants which are formed due to stress conditions. A chromatographic separation of the dronedarone and its degradants were achieved with Zorbax XDB C8 150 x 4.6 mm, 3.5µm analytical column using aqueous solution of 0.05M ammonium acetate and acetonitrile (40:60 v/v). The instrumental settings are flow rate of 1.0 mL/min, column temperature at 30ºC, and detector wavelength of 220 nm using a photodiode array detector. Observed theoretical plates and tailing factor for dronedarone were 6577 and 1.09 respectively. Dronedarone was exposed to thermal, photolytic, hydrolytic and oxidative stress conditions, and the stressed samples were analysed by the proposed method. Peak homogeneity data of dronedarone is obtained using photodiode array detector. The stressed sample chromatograms demonstrate the specificity of the method for the estimation dronedarone in presence of its degradants. The described method showed excellent linearity over a range of 10 - 300 µg/mL for dronedarone. The correlation coefficient is 0.999. The relative standard deviation of peak area for six measurements is always found to be less than 2%. The proposed method was found to be suitable and accurate for quantitative determination and stability study of dronedarone.
    Keywords Liquid chromatography ; Method validation ; Pharmaceutical preparation ; Dronedarone hydrochloride and Stress degradation ; Chemistry ; QD1-999 ; Science ; Q ; DOAJ:Chemistry (General) ; DOAJ:Chemistry
    Subject code 540
    Language English
    Publishing date 2012-01-01T00:00:00Z
    Publisher Sociedad Chilena de Química
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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