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Papers by Suresh Waghmode
Chemistry – An Asian Journal
Advanced Nanomaterials for Point of Care Diagnosis and Therapy, 2022
The Journal of Physical Chemistry A, 2009
Photodissociation of 3-bromo-1,1,1-trifluoro-2-propanol (BTFP) has been investigated at 193 nm, e... more Photodissociation of 3-bromo-1,1,1-trifluoro-2-propanol (BTFP) has been investigated at 193 nm, employing the laser photolysis laser-induced fluorescence technique. The nascent OH product was detected state selectively, and the energy released into translation, rotation, and vibration of the photoproducts has been measured. OH is produced mostly vibrationally cold, with a moderate rotational excitation, which is characterized by a rotational temperature of 640 +/- 140 K. However, an appreciable amount of the available energy of 36.1 kcal mol(-1) is released into translation of OH (15.1 kcal mol(-1)). OH product has no preference for a specific spin-orbit state, Pi(3/2) or Pi(1/2). However, between two Lambda-doublet states, Pi(+) and Pi(-), the OH product has a preference for the former by a factor of 2. A mechanism of OH formation from BTFP on excitation at 193 nm is proposed, which involves first the direct C-Br bond dissociation from a repulsive state (n(Br)sigma*(C-Br)) as a primary process. The primary product, F(3)C-CH(OH)-CH(2), with sufficient internal energy undergoes spontaneous C-OH bond dissociation, through a loose transition state. The formation rate of OH is calculated to be 5.8 x 10(6) s(-1) using Rice-Ramsperger-Kassel-Marcus unimolecular rate theory. Experimental results have been supported by theoretical calculations, and energies of various low-energy dissociation channels of the primary product, F(3)C-CH(OH)-CH(2), have been calculated.
![Research paper thumbnail of An Efficient Total Synthesis of (-)-(R), (+)-(S)-Lavandulol Pheromones and Their Derivatives through Proline Catalyzed Asymmetric α-Aminooxylation and [3,3] Claisen Rearrangement](https://attachments.academia-assets.com/89445550/thumbnails/1.jpg)
](Organic Chemistry Frontiers
An efficient enantioselective total synthesis of pyrrolo-[2,1-c][1,4]benzodiazepine (PBD) monomer... more An efficient enantioselective total synthesis of pyrrolo-[2,1-c][1,4]benzodiazepine (PBD) monomers (S)-(−)-barmumycin and (S)-(+)-boseongazepine B was achieved through a stereocontrolled strategy, which relies on a proline catalysed asymmetric α-amination and ester α-ethylenation.
Tetrahedron, 2009
... Organocatalytic enantioselective formal synthesis of HRV 3C-protease inhibitor (1R,3S)-thysan... more ... Organocatalytic enantioselective formal synthesis of HRV 3C-protease inhibitor (1R,3S)-thysanone. Rajiv T. Sawant a and Suresh B. Waghmode Corresponding Author Contact Information , a , E-mail The Corresponding Author. ... (a)J. Sperry, P. Bachu and MA Brimble, Nat. Prod. ...
Preprints American Chemical Society Division of Petroleum Chemistry, 2001
Bull Chem Soc Jpn, 1999
2162 Bull. Chem. Soc. Jpn., 72, No. 10 (1999) Modeling Diffusion in Zeolites space were measured ... more 2162 Bull. Chem. Soc. Jpn., 72, No. 10 (1999) Modeling Diffusion in Zeolites space were measured according to a procedure detailed elsewhere.26 The three largest dimensions of the molecules (axbxc) in mutu-ally perpendicular directions are given in Table 1. The qualitative ...
Studies in Surface Science and Catalysis, 1999
Unlike several other practical heterogeneous catalysts, zeolites are highly crystalline and well ... more Unlike several other practical heterogeneous catalysts, zeolites are highly crystalline and well characterized materials. The surfaces amenable for the approach of molecules, the catalytic active sites for adsorption and the space available for their reaction are well-defined. The above facts have led to the development of zeolites as the breeding ground for molecular modelling methods. In turn, the molecular modelling methods have played a crucial role in improving our understanding of several facets of zeolite catalysis, thus establishing a symbiotic relation. In this work, we bring out the application of molecular modelling methods to understand, interpret and to some extent predict the properties of zeolite based environment-friendly catalysts. The studies applied to design zeolite catalysts which are prospective candidates to replace environmentally hostile catalyst materials such as mineral acids, chlorides of aluminum, zirconium, iron etc. are presented. Two typical cases, where modelling has been carried out on zeolite catalysts in order to understand the mechanism of complex organic transformations, are described. In case I, the yields in the conversion of several spirolactones to enones were rationalized and the role of shape-selectivity in controlling the yield are brought out. In case II, the distribution of Na and RE in zeolite-Y and their consequence on the yield of S-N acetals are understood. Further, the adsorption and diffusion characteristics of alkylaromatics in various zeolites are studied by force-field based energy minimization calculations. These studies have brought out the power of molecular modelling methods for i) the initial screening of zeolite catalysts in shape selective reactions, ii) to identify the energetically favorable and unfavorable locations for the molecules insides the pores of zeolites and iII) to deduce the energy barriers for the diffusion of the molecules. The energetically favorable locations of 1,2-dichlorobenzene, its electronic interaction with C12 and promoter inside zeolite K-L are studied. The results are useful to understand the mechanism of selective formation of 1,2,4-trichlorobenzene. Additionally, the attempts based on molecular modelling studies towards the design of zeolite catalysts for pollution control such as deNOx and removal of chloroflurohydrocarbons by adsorption over zeolites are described. The mode of activation of CH4 and H2O over Ga-ZSM-5 are brought out. The influence of the extra framework cations on the adsorption of CF2C12 on CsNaY is revealed. Overall molecular modelling studies throw light on the underlying chemical forces — their nature and magnitude, which control the behavior of the reacting molecules inside the zeolite pores.
Studies in Surface Science and Catalysis, 2001
This chapter presents the characterization of acidic sites in zeolites by heteronuclear double re... more This chapter presents the characterization of acidic sites in zeolites by heteronuclear double resonance solid-state nuclear magnetic resonance (NMR). The structural characterization of Brönsted acid sites in zeolites can be investigated through heteronuclear double resonance NMR experiments under magic angle spinning (MAS). With these experiments, the 1H-27Al heteronuclear dipolar interactions are recoupled by using the rotational echo adiabatic passage double resonance (REAPDOR) technique. The signal evolution is followed and monitored under MAS, and the REAPDOR fraction is experimentally measured. Its time evolution is shown to reflect the differences in Brönsted acidity of three well-known zeolites—namely, LTL, LTY, and MOR.
Trends in Biotechnology, 2015
Although single-cell oil (SCO) has been studied for decades, lipid production from lignocellulosi... more Although single-cell oil (SCO) has been studied for decades, lipid production from lignocellulosic biomass has received substantial attention only in recent years as biofuel research moves toward producing drop-in fuels. This review gives an overview of the feasibility and challenges that exist in realizing microbial lipid production from lignocellulosic biomass in a biorefinery. The aspects covered here include biorefinery technologies, the microbial oil market, oleaginous microbes, lipid accumulation metabolism, strain development, process configurations, lignocellulosic lipid production, technical hurdles, lipid recovery, and technoeconomics. The lignocellulosic SCO-based biorefinery will be feasible only if a combination of low- and high-value lipids are coproduced, while lignin and protein are upgraded to high-value products.
Journal of Nanoscience and Nanotechnology, 2015
International Journal of Hydrogen Energy, 2014
ABSTRACT
The Journal of Physical Chemistry B, 2004
Chemistry – An Asian Journal
Advanced Nanomaterials for Point of Care Diagnosis and Therapy, 2022
The Journal of Physical Chemistry A, 2009
Photodissociation of 3-bromo-1,1,1-trifluoro-2-propanol (BTFP) has been investigated at 193 nm, e... more Photodissociation of 3-bromo-1,1,1-trifluoro-2-propanol (BTFP) has been investigated at 193 nm, employing the laser photolysis laser-induced fluorescence technique. The nascent OH product was detected state selectively, and the energy released into translation, rotation, and vibration of the photoproducts has been measured. OH is produced mostly vibrationally cold, with a moderate rotational excitation, which is characterized by a rotational temperature of 640 +/- 140 K. However, an appreciable amount of the available energy of 36.1 kcal mol(-1) is released into translation of OH (15.1 kcal mol(-1)). OH product has no preference for a specific spin-orbit state, Pi(3/2) or Pi(1/2). However, between two Lambda-doublet states, Pi(+) and Pi(-), the OH product has a preference for the former by a factor of 2. A mechanism of OH formation from BTFP on excitation at 193 nm is proposed, which involves first the direct C-Br bond dissociation from a repulsive state (n(Br)sigma*(C-Br)) as a primary process. The primary product, F(3)C-CH(OH)-CH(2), with sufficient internal energy undergoes spontaneous C-OH bond dissociation, through a loose transition state. The formation rate of OH is calculated to be 5.8 x 10(6) s(-1) using Rice-Ramsperger-Kassel-Marcus unimolecular rate theory. Experimental results have been supported by theoretical calculations, and energies of various low-energy dissociation channels of the primary product, F(3)C-CH(OH)-CH(2), have been calculated.
Organic Chemistry Frontiers
An efficient enantioselective total synthesis of pyrrolo-[2,1-c][1,4]benzodiazepine (PBD) monomer... more An efficient enantioselective total synthesis of pyrrolo-[2,1-c][1,4]benzodiazepine (PBD) monomers (S)-(−)-barmumycin and (S)-(+)-boseongazepine B was achieved through a stereocontrolled strategy, which relies on a proline catalysed asymmetric α-amination and ester α-ethylenation.
Tetrahedron, 2009
... Organocatalytic enantioselective formal synthesis of HRV 3C-protease inhibitor (1R,3S)-thysan... more ... Organocatalytic enantioselective formal synthesis of HRV 3C-protease inhibitor (1R,3S)-thysanone. Rajiv T. Sawant a and Suresh B. Waghmode Corresponding Author Contact Information , a , E-mail The Corresponding Author. ... (a)J. Sperry, P. Bachu and MA Brimble, Nat. Prod. ...
Preprints American Chemical Society Division of Petroleum Chemistry, 2001
Bull Chem Soc Jpn, 1999
2162 Bull. Chem. Soc. Jpn., 72, No. 10 (1999) Modeling Diffusion in Zeolites space were measured ... more 2162 Bull. Chem. Soc. Jpn., 72, No. 10 (1999) Modeling Diffusion in Zeolites space were measured according to a procedure detailed elsewhere.26 The three largest dimensions of the molecules (axbxc) in mutu-ally perpendicular directions are given in Table 1. The qualitative ...
Studies in Surface Science and Catalysis, 1999
Unlike several other practical heterogeneous catalysts, zeolites are highly crystalline and well ... more Unlike several other practical heterogeneous catalysts, zeolites are highly crystalline and well characterized materials. The surfaces amenable for the approach of molecules, the catalytic active sites for adsorption and the space available for their reaction are well-defined. The above facts have led to the development of zeolites as the breeding ground for molecular modelling methods. In turn, the molecular modelling methods have played a crucial role in improving our understanding of several facets of zeolite catalysis, thus establishing a symbiotic relation. In this work, we bring out the application of molecular modelling methods to understand, interpret and to some extent predict the properties of zeolite based environment-friendly catalysts. The studies applied to design zeolite catalysts which are prospective candidates to replace environmentally hostile catalyst materials such as mineral acids, chlorides of aluminum, zirconium, iron etc. are presented. Two typical cases, where modelling has been carried out on zeolite catalysts in order to understand the mechanism of complex organic transformations, are described. In case I, the yields in the conversion of several spirolactones to enones were rationalized and the role of shape-selectivity in controlling the yield are brought out. In case II, the distribution of Na and RE in zeolite-Y and their consequence on the yield of S-N acetals are understood. Further, the adsorption and diffusion characteristics of alkylaromatics in various zeolites are studied by force-field based energy minimization calculations. These studies have brought out the power of molecular modelling methods for i) the initial screening of zeolite catalysts in shape selective reactions, ii) to identify the energetically favorable and unfavorable locations for the molecules insides the pores of zeolites and iII) to deduce the energy barriers for the diffusion of the molecules. The energetically favorable locations of 1,2-dichlorobenzene, its electronic interaction with C12 and promoter inside zeolite K-L are studied. The results are useful to understand the mechanism of selective formation of 1,2,4-trichlorobenzene. Additionally, the attempts based on molecular modelling studies towards the design of zeolite catalysts for pollution control such as deNOx and removal of chloroflurohydrocarbons by adsorption over zeolites are described. The mode of activation of CH4 and H2O over Ga-ZSM-5 are brought out. The influence of the extra framework cations on the adsorption of CF2C12 on CsNaY is revealed. Overall molecular modelling studies throw light on the underlying chemical forces — their nature and magnitude, which control the behavior of the reacting molecules inside the zeolite pores.
Studies in Surface Science and Catalysis, 2001
This chapter presents the characterization of acidic sites in zeolites by heteronuclear double re... more This chapter presents the characterization of acidic sites in zeolites by heteronuclear double resonance solid-state nuclear magnetic resonance (NMR). The structural characterization of Brönsted acid sites in zeolites can be investigated through heteronuclear double resonance NMR experiments under magic angle spinning (MAS). With these experiments, the 1H-27Al heteronuclear dipolar interactions are recoupled by using the rotational echo adiabatic passage double resonance (REAPDOR) technique. The signal evolution is followed and monitored under MAS, and the REAPDOR fraction is experimentally measured. Its time evolution is shown to reflect the differences in Brönsted acidity of three well-known zeolites—namely, LTL, LTY, and MOR.
Trends in Biotechnology, 2015
Although single-cell oil (SCO) has been studied for decades, lipid production from lignocellulosi... more Although single-cell oil (SCO) has been studied for decades, lipid production from lignocellulosic biomass has received substantial attention only in recent years as biofuel research moves toward producing drop-in fuels. This review gives an overview of the feasibility and challenges that exist in realizing microbial lipid production from lignocellulosic biomass in a biorefinery. The aspects covered here include biorefinery technologies, the microbial oil market, oleaginous microbes, lipid accumulation metabolism, strain development, process configurations, lignocellulosic lipid production, technical hurdles, lipid recovery, and technoeconomics. The lignocellulosic SCO-based biorefinery will be feasible only if a combination of low- and high-value lipids are coproduced, while lignin and protein are upgraded to high-value products.
Journal of Nanoscience and Nanotechnology, 2015
International Journal of Hydrogen Energy, 2014
ABSTRACT
The Journal of Physical Chemistry B, 2004