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V.k. Sharma - One of the best experts on this subject based on the ideXlab platform.
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Molecular Interactions in Binary Mixtures of Lactams with Cyclic Alkanones
Journal of Solution Chemistry, 2014Co-Authors: V.k. Sharma, J. Kataria, S. SolankiAbstract:The densities ρ _12, speeds of sound u _12, for the binary mixtures of Pyrrolidin-2-One or 1-methylPyrrolidin-2-One (NMP) ( 1 ) + cyclopentanone or cyclohexanone or cycloheptanone ( 2 ) at (293.15, 298.15, 303.15, 308.15 K), and excess molar enthalpies $$ H_{12}^{\text{E}} $$ H 12 E , of the same mixtures at 298.15 K have been measured as a function of composition. The observed data were employed to determine the excess molar volumes, $$ V_{12}^{\text{E}} $$ V 12 E , and excess isentropic compressibilities, $$ \left( {\kappa_{S}^{\text{E}} } \right)_{12} $$ κ S E 12 . The results have been analyzed in terms of the Graph and Prigogine–Flory–Patterson theories. The analysis of $$ V_{12}^{\text{E}} $$ V 12 E data of Pyrrolidin-2-One or NMP ( 1 ) + cyclic alkanones ( 2 ) mixtures in terms of Graph theory suggest that while Pyrrolidin-2-One ( 1 ) + cyclic alkanones ( 2 ) are characterized by interactions between the hydrogen and oxygen atoms of Pyrrolidin-2-One with the oxygen and carbon atoms of cyclic alkanones, 1-methyl Pyrrolidin-2-One ( 1 ) + cyclic alkanones ( 2 ) mixtures are characterized by interactions between the nitrogen and oxygen atoms of NMP with the oxygen and carbon atoms of cyclic alkanones to form 1:1 molecular complexes. IR studies support this viewpoint. It has been observed that the $$ V_{12}^{\text{E}} ,\,H_{12}^{\text{E}} $$ V 12 E , H 12 E , and $$ \left( {\kappa_{S}^{\text{E}} } \right)_{12} $$ κ S E 12 values evaluated by Graph theory compare well with their corresponding experimental values.
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Excess molar enthalpies for [emim][BF4] + Pyrrolidin-2-One or 1-methyl Pyrrolidin-2-One + pyridine or water mixtures
The Journal of Chemical Thermodynamics, 2013Co-Authors: V.k. Sharma, S. Bhagour, S. Solanki, Sheetal, S.k. JangraAbstract:Abstract Excess molar enthalpies, H ijk E of ternary 1-ethyl-3-methylimidazolium tetrafluoroborate (i) + Pyrrolidin-2-One (j) + Pyridine or Water (k); 1-ethyl-3-methylimidazolium tetrafluoroborate (i) 1-methyl Pyrrolidin-2-One (j) + Pyridine or Water (k) and HE of Pyrrolidin-2-One (i) + Pyridine or Water (j); 1-methyl Pyrrolidin-2-One (i) + Pyridine (j); 1-ethyl-3-methylimidazolium tetrafluoroborate (i) + Water (j) mixtures have been measured over entire mole fraction range at 298.15 K. The H ijk E value for 1-ethyl-3-methylimidazolium tetrafluoroborate (i) + Pyrrolidin-2-One (j) + Water (k); 1-ethyl-3-methylimidazolium tetrafluoroborate (i) + 1-methyl Pyrrolidin-2-One (j) + Pyridine or Water (k) are positive over whole range of composition and for 1-ethyl-3-methylimidazolium tetrafluoroborate (i) + Pyrrolidin-2-One (j) + Pyridine (k) mixture, the sign of H ijk E values varies with change in composition of the components. The observed data have been analyzed in terms of (i) Graph; and (ii) Prigogine–Flory–Patterson (PFP) theories. Results indicate that HE and H ijk E values obtained by Graph theory are in good agreement with experimental data. The PFP theory correctly predict sign as well as magnitude of HE values for the binary mixtures. However, theory fails to predict the sign of H ijk E values for the ternary mixtures.
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Excess heat capacities of 1-methyl Pyrrolidin-2-One and pyridine or picolines mixtures
Thermochimica Acta, 2013Co-Authors: V.k. Sharma, A. RohillaAbstract:Abstract The excess heat capacities, C P E , of binary 1-methyl Pyrrolidin-2-One (i) + pyridine or α- or β- or γ-picoline (j) mixtures have been measured as a function of composition at 293.15, 298.15 and 303.15 K using micro differential scanning calorimeter (Model – μDSC 7 Evo). The C P E data have been fitted to Redlich–Kister equation to calculate binary adjustable parameters and standard deviations. The measured property of the studied mixtures has been analyzed in terms of Graph (which deals with the topology of the constituent of mixtures) theory. It has been observed that Graph theory describes well the C P E data of the investigated binary mixtures.
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Thermodynamic properties of ternary mixtures of 1-ethyl-3-methylimidazolium tetrafluoroborate with 1-methyl Pyrrolidin-2-One or Pyrrolidin-2-One + water
Thermochimica Acta, 2013Co-Authors: V.k. Sharma, S. Bhagour, Dimple Sharma, S. SolankiAbstract:Densities, ρijk and speeds of sound, uijk of 1-ethyl-3-methylimidazolium tetrafluoroborate (i) + 1-methyl Pyrrolidin-2-One or Pyrrolidin-2-One (j) + water (k) ternary mixtures have been measured over the complete mole fraction range at 293.15, 298.15, 303.15, and 308.15 K using density and speed of sound analyzer (Anton Paar DSA 5000). The heat capacity, Cp of water at 293.15, 298.15, 303.15, and 308.15 K have also been measured using differential scanning calorimeter (Model – μDSC 7 Evo). The measured data have been employed to determine excess molar volumes, VijkE and excess isentropic compressibilities, (κSE)ijk. The VijkE and (κSE)ijk data have been fitted to Redlich–Kister equation to calculate ternary adjustable parameters and standard deviations. The observed thermodynamic properties of the ternary mixtures have been analyzed in terms of Graph theory. It has been observed that Graph theory successfully describes well VijkE and (κSE)ijk data of the studied ternary ionic liquid mixtures.
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Excess Molar Volumes, Excess Molar Enthalpies and Excess Isentropic Compressibilities of 1-Methyl Pyrrolidin-2-One with Water and Propanols
Journal of Solution Chemistry, 2013Co-Authors: J.s. Yadav, V.k. SharmaAbstract:Excess molar volumes V ^E, excess molar enthalpies H ^E, and speeds of sound u for 1-methyl Pyrrolidin-2-One (1) + water or propan-1-ol or propan-2-ol (2) binary mixtures have been measured over the entire composition range (at 308.15 K) using a dilatometer, calorimeter and interferometer. Speeds of sound data, u , of (1 + 2) binary mixtures have been utilized to determine excess isentropic compressibilities, $$ \kappa_{S}^{\text{E}} $$ . The observed V ^E, H ^E and $$ \kappa_{S}^{\text{E}} $$ data have been analyzed in terms of (1) Graph theory (which involves the topology of the constituents of mixture), and (2) the Prigogine–Flory–Patterson theory. Analysis of V ^E data in terms of Graph theory suggests that 1-methyl Pyrrolidin-2-One, water, propan-1-ol, and propan-2-ol exist as associated molecular entities. IR studies lend additional support to the proposed molecular entities in (1 + 2) mixtures. It has been observed that V ^E, H ^E and $$ \kappa_{S}^{\text{E}} $$ values predicted by Graph theory compare well with their corresponding experimental values.
Katarzyna Kulig - One of the best experts on this subject based on the ideXlab platform.
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Synthesis of 3,3- and 4,4-Alkyl-phenyl-substituted Pyrrolidin-2-One Derivatives
Polish Journal of Chemistry, 2020Co-Authors: Katarzyna Kulig, M. Ignasik, B. MalawskaAbstract:Syntheses of 3,3- and 4,4-alkyl-phenyl-substituted Pyrrolidin-2-One derivatives are described. The final compounds were obtained by the reductive cyclization of relevant cyanoalkanoate esters using NaBH 4 and CoCl 2 ·6H 2 O. The obtained Pyrrolidin-2-One derivatives are pharmacophoric fragments for the synthesis of various biologically active compounds.
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Pyrrolidin-2-One derivatives may reduce body weight in rats with diet-induced obesity
European Journal of Pharmacology, 2016Co-Authors: Magdalena Dudek, Paula Zaręba, Marek Bednarski, Leszek Nowiński, Małgorzata Zygmunt, Joanna Knutelska, Grzegorz Kazek, Barbara Mordyl, Monika Głuch-lutwin, Katarzyna KuligAbstract:Abstract Obesity affects an increasing number of individuals in the human population and significant importance is attached to research leading to the discovery of drug which would effectively reduce weight. The search for new drugs with anorectic activity and acting within the adrenergic system has attracted the interest of researchers. This study concerns the experimental effects on body weight of α 2 -adrenoceptor antagonists from the group of Pyrrolidin-2-One derivatives in rats with diet-induced obesity. Methods: The intrinsic activity of the test compounds at the α-adrenoreceptors was tested. Obesity in rats was obtained by the use of fatty diet and then the influence of the test compounds on body weight, food and water intakes, lipid and glucose profiles and glycerol and cortisol levels were determinated. The effects of the compounds on locomotor activity, body temperature, blood pressure and heart rate were tested. Results: One of the test compounds (1-(3-(4-phenylpiperazin-1-yl)propyl)Pyrrolidin-2-One) reduces the animal's body weight and the amount of peritoneal adipose tissue during chronic administration, at the same time it does not cause significant adverse effects on the cardiovascular system. This compound decreases temperature and elevates glycerol levels and does not change the locomotor activity and cortisol level at anti-obese dose. Conclusions: Some derivatives of Pyrrolidin-2-One that act as antagonists of the α 2 -adrenoreceptor may reduce body weight. Reducing body weight for 1-(3-(4-phenylpiperazin-1-yl)propyl)Pyrrolidin-2-One can be associated with decrease in food intake, body fat reduction, reduction of blood glucose, and increased thermogenesis and lipolysis. This effect cannot be the result of changes in spontaneous activity or stress.
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Evaluation of anticonvulsant activity of novel Pyrrolidin-2-One derivatives
Pharmacological Reports, 2014Co-Authors: Jacek Sapa, Barbara Malawska, Katarzyna Kulig, Barbara Filipek, Magdalena Dudek, Marek Bednarski, Małgorzata Zygmunt, Aleksandra Kusak, Gabriel NowakAbstract:Background The aim of this study was to examine the anticonvulsant activity of some novel Pyrrolidin-2-One derivatives with considerable affinity to serotonin 5-HT1A and α1-adrenergic receptors.
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Antidepressant-like activity of the phenylpiperazine Pyrrolidin-2-One derivatives in mice.
Pharmacological Reports, 2014Co-Authors: Jacek Sapa, Barbara Filipek, Katarzyna Kulig, Barbara MalawskaAbstract:Abstract The present study was designed to investigate the central nervous system activity of 23 novel phenylpiperazine Pyrrolidin-2-One derivatives. These compounds had marked antiarrhythmic and hypotensive activities and revealed affinity for α 1 - and α 2 -adrenoceptors. These effects may be related to their α-adrenolytic properties. We assessed their antidepressant-like effect in the forced swimming test, influence of spontaneous locomotor activities and binding to 5-HT 1A and 5-HT 2 receptors. Our study demonstrated the strong antidepressant-like activity of compound EP-65 in the forced swimming test. The effect of EP-65 was stronger than results obtained with the classical antidepressants imipramine and mianserin. Other compounds, EP-41 , EP-42 , EP-44 , EP-47 , EP-48 , EP-49 , EP-50 , EP-62 , EP-66 , EP-70 , EP-75 and EP-76 , showed significantly weaker activities in this test. Compound EP-42 showed the strongest affinity for 5-HT 1A (K i = 24.5 nM), and compound EP-50 showed the strongest affinity for the 5-HT 2 receptor (K i = 109.1 nM). All tested compounds significantly suppressed the spontaneous locomotor activity of mice. Currently, it is not possible to determine which mechanisms are involved in the witnessed antidepressant-like activity of novel phenylpiperazine Pyrrolidin-2-One derivatives.
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QSAR studies on a number of Pyrrolidin-2-One antiarrhythmic arylpiperazinyls
Medicinal Chemistry Research, 2011Co-Authors: Alicja Nowaczyk, Katarzyna KuligAbstract:The activity of a number of 1-[3-(4-arylpiperazin-1-yl)propyl]Pyrrolidin-2-One antiarrhythmic (AA) agents was described using the quantitative structure–activity relationship model by applying it to 33 compounds. The molecular descriptors of the AA activity were obtained by quantum chemical calculations combined with molecular modeling calculations. The resulting model explains up to 91% of the variance and it was successfully validated by four tests (LOO, LMO, external test, and Y-scrambling test). Statistical analysis shows that the AA activity of the studied compounds depends mainly on the PCR and JGI4 descriptors.
Michael B. Smith - One of the best experts on this subject based on the ideXlab platform.
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n benzyl 5 hydroxy 3 pyrrolidin 2 one by hydrogen peroxide oxidation of n benzyl 3 phenylseleno 2 pyrrolidinone
Synthetic Communications, 2007Co-Authors: Michael B. SmithAbstract:Abstract Using the known peroxide oxidation of N‐benzyl‐3‐phenylseleno‐2‐pyrrolidinone with 30% hydrogen peroxide at −5°C after 3.5 h, we prepared the expected N‐benzyl‐3‐pyrrolin‐2‐one. However, reaction with 30% hydrogen peroxide for 12 h (−5°C→ambient) gave the unexpected product N‐benzyl‐5‐hydroxy‐3‐pyrrolidin‐2‐one in 84% isolated yield. This procedure is a new synthetic route to N‐benzyl‐5‐hydroxy‐3‐pyrrolidin‐2‐one.
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N‐Benzyl‐5‐hydroxy‐3‐pyrrolidin‐2‐one by Hydrogen Peroxide Oxidation of N‐Benzyl‐3‐phenylseleno‐2‐pyrrolidinone
Synthetic Communications, 2007Co-Authors: Michael B. SmithAbstract:Abstract Using the known peroxide oxidation of N‐benzyl‐3‐phenylseleno‐2‐pyrrolidinone with 30% hydrogen peroxide at −5°C after 3.5 h, we prepared the expected N‐benzyl‐3‐pyrrolin‐2‐one. However, reaction with 30% hydrogen peroxide for 12 h (−5°C→ambient) gave the unexpected product N‐benzyl‐5‐hydroxy‐3‐pyrrolidin‐2‐one in 84% isolated yield. This procedure is a new synthetic route to N‐benzyl‐5‐hydroxy‐3‐pyrrolidin‐2‐one.
Barbara Malawska - One of the best experts on this subject based on the ideXlab platform.
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Antiarrhythmic and α-Adrenoceptor Antagonistic Properties of Novel Arylpiperazine Derivatives of Pyrrolidin-2-One
Archiv Der Pharmazie, 2015Co-Authors: Paula Zaręba, Jacek Sapa, Magdalena Dudek, Klaudia Lustyk, Agata Siwek, Gabriela Starowicz, Marek Bednarski, Leszek Nowiński, Małgorzata Zygmunt, Barbara MalawskaAbstract:: In an effort to develop α-adrenoceptor antagonists with antiarrhythmic activity, we designed a series of Pyrrolidin-2-One derivatives. The α1- and α2-adrenorecepor affinities of the new Pyrrolidin-2-One derivatives were determined using a radioligand binding assay. The most active compound was then tested in vitro for intrinsic activity toward α(1A)- and α(1B)-adrenoceptors and in vitro for antiarrhythmic activity in epinephrine-induced arrhythmia in rats. The highest affinity for the α1-adrenoceptor (pK(i) = 7.01) was displayed by 1-{4-[4-(2-methoxy-5-chlorophenyl)-piperazin-1-yl]-methyl}-Pyrrolidin-2-One (9). 1-[4-(2-Fluorophenyl)-piperazin-1-yl]-methyl-Pyrrolidin-2-One (7) showed the highest affinity toward the α2-adrenoceptor (pK(i) = 6.52). Intrinsic activity studies of compound 9 showed that this compound is an antagonist of both α(1A)- (EC50 = 0.5 nM) and α(1B)- (EC50 = 51.0 nM) adrenoceptors. Compound 9 displayed antiarrhythmic activity in rats (ED50 = 5.0 mg/kg (3.13-7.99)). New derivatives of Pyrrolidin-2-One with α1 -adrenoceptor affinity were identified. We propose that the antiarrhythmic activity of compound 9 is related to its antagonism of α(1A)- and α(1B)-adrenoceptors.
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α-Adrenoceptor antagonistic and hypotensive properties of novel arylpiperazine derivatives of Pyrrolidin-2-One
Bioorganic & Medicinal Chemistry, 2015Co-Authors: Paula Zaręba, Jacek Sapa, Magdalena Dudek, Klaudia Lustyk, Agata Siwek, Gabriela Starowicz, Marek Bednarski, Leszek Nowiński, Katarzyna Raźny, Barbara MalawskaAbstract:Abstract This study focused on a series of Pyrrolidin-2-One derivatives connected via two or four methylene units to arylpiperazine fragment. The compounds obtained for α 1 - and α 2 -adrenoceptors were assessed. The compound with highest affinity for the α 1 -adrenoceptors was 1-{4-[4-(2-chloro-phenyl)-piperazin-1-yl]-butyl}-Pyrrolidin-2-One ( 10h ) with p K i = 7.30. Compound with p K i (α 1 ) ⩾6.44 were evaluated in functional bioassays for intrinsic activity at α 1A - and α 1B -adrenoceptors. All compounds tested were antagonists of the α 1B -adrenoceptors. Additionally, compounds 10e and 10h were α 1A -adrenoceptors antagonist. The dual α 1A -/α 1B -adrenoceptors antagonists, compounds 10e and 10h were also tested in vivo for their hypotensive activity in rats. These compounds, when dosed of 1.0 mg/kg iv in normotensive, anesthetized rats, significantly decreased systolic and diastolic pressure and their hypotensive effects lasted for longer than one hour.
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Evaluation of anticonvulsant activity of novel Pyrrolidin-2-One derivatives
Pharmacological Reports, 2014Co-Authors: Jacek Sapa, Barbara Malawska, Katarzyna Kulig, Barbara Filipek, Magdalena Dudek, Marek Bednarski, Małgorzata Zygmunt, Aleksandra Kusak, Gabriel NowakAbstract:Background The aim of this study was to examine the anticonvulsant activity of some novel Pyrrolidin-2-One derivatives with considerable affinity to serotonin 5-HT1A and α1-adrenergic receptors.
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Antidepressant-like activity of the phenylpiperazine Pyrrolidin-2-One derivatives in mice.
Pharmacological Reports, 2014Co-Authors: Jacek Sapa, Barbara Filipek, Katarzyna Kulig, Barbara MalawskaAbstract:Abstract The present study was designed to investigate the central nervous system activity of 23 novel phenylpiperazine Pyrrolidin-2-One derivatives. These compounds had marked antiarrhythmic and hypotensive activities and revealed affinity for α 1 - and α 2 -adrenoceptors. These effects may be related to their α-adrenolytic properties. We assessed their antidepressant-like effect in the forced swimming test, influence of spontaneous locomotor activities and binding to 5-HT 1A and 5-HT 2 receptors. Our study demonstrated the strong antidepressant-like activity of compound EP-65 in the forced swimming test. The effect of EP-65 was stronger than results obtained with the classical antidepressants imipramine and mianserin. Other compounds, EP-41 , EP-42 , EP-44 , EP-47 , EP-48 , EP-49 , EP-50 , EP-62 , EP-66 , EP-70 , EP-75 and EP-76 , showed significantly weaker activities in this test. Compound EP-42 showed the strongest affinity for 5-HT 1A (K i = 24.5 nM), and compound EP-50 showed the strongest affinity for the 5-HT 2 receptor (K i = 109.1 nM). All tested compounds significantly suppressed the spontaneous locomotor activity of mice. Currently, it is not possible to determine which mechanisms are involved in the witnessed antidepressant-like activity of novel phenylpiperazine Pyrrolidin-2-One derivatives.
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Synthesis and pharmacological evaluation of Pyrrolidin-2-One derivatives as antiarrhythmic, antihypertensive and α-adrenolytic agents
Pharmacological Reports, 2010Co-Authors: Katarzyna Kulig, Barbara Filipek, Jacek Sapa, Cindy Spieces, Christa Caspers, Barbara MalawskaAbstract:A series of novel arylpiperazines bearing a Pyrrolidin-2-One fragment were synthesized and evaluated for their binding affinity for α_1- and α_2-adrenoceptors (ARs) as well as their antiarrhythmic and antihypertensive activities. The highest affinity for the α_1-AR was displayed by 1-3-[4-(2-chloro-phenyl)-piperazin-1-yl]-propyl-Pyrrolidin-2-One 7 , which binds with a pK_i = 7.13. The highest affinity for the α_2-AR was shown by 1-3-[4-(4-chloro-phenyl)-piperazin-1-yl]-propyl-Pyrrolidin-2-One 18 , which binds with a pK_i = 7.29. Among the compounds tested, 1-3-[4-(2-ethoxy-phenyl)-piperazin-1-yl]-propyl-Pyrrolidin-2-One 13 had the highest prophylactic antiarrhythmic activity in epinephrine-induced arrhythmia in anesthetized rats. Its ED_50 value was 1.0 mg/kg intravenously ( iv ). The compounds with a hydroxy group in the 4-position of the phenyl ring or two substituents such as fluorine atoms in the 2 and 4 positions of the phenyl ring significantly decreased systolic and diastolic pressure in normotensive anesthetized rats at a dose of 2.5 mg/kg iv , and their hypotensive effects lasted for longer than an hour.
Atri D Tripathi - One of the best experts on this subject based on the ideXlab platform.
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EXCESS MOLAR ENTHALPIES OF DIBROMOMETHANE + CYCLHEXANONE AND DICHLOROMETHANE + CYCLHEXANONE OR + Pyrrolidin-2-One AT T =303.15 K
Journal of Applied Solution Chemistry and Modeling, 2012Co-Authors: Atri D TripathiAbstract:Excess molar enthalpies HE were measured using a microcalorimeter for binary liquid mixtures of dibromomethane (CH2Br2) + cyclohexanone, and dichloromethane (CH2Cl2) + cyclohexanone or + Pyrrolidin-2-One at T= 303.15 K. The values of HE are negative for all systems. The excess partial molar enthalpies of the components HEm,1 and HEm,2 were calculated from HE data. The results were interpreted in terms of specific interactions.
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excess molar enthalpies of dibromomethane cyclhexanone and dichloromethane cyclhexanone or pyrrolidin 2 one at t 303 15 k
Journal of Applied Solution Chemistry and Modeling, 2012Co-Authors: Atri D TripathiAbstract:Excess molar enthalpies HE were measured using a microcalorimeter for binary liquid mixtures of dibromomethane (CH2Br2) + cyclohexanone, and dichloromethane (CH2Cl2) + cyclohexanone or + Pyrrolidin-2-One at T= 303.15 K. The values of HE are negative for all systems. The excess partial molar enthalpies of the components HEm,1 and HEm,2 were calculated from HE data. The results were interpreted in terms of specific interactions.
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excess molar enthalpies of dibromomethane with benzene methanol dimethylsulfoxide and pyrrolidin 2 one at 303 15 k
Journal of Chemical & Engineering Data, 2010Co-Authors: Atri D TripathiAbstract:Excess molar enthalpies at 303.15 K have been determined for dibromomethane (DBM) with benzene, methanol, dimethylsulfoxide, and Pyrrolidin-2-One. The excess molar enthalpies for DBM + benzene and + methanol are endothermic whereas exothermic for the system DBM + dimethylsulfoxide and + Pyrrolidin-2-One. These results indicate the existence of specific interactions of DBM with all these compounds.
