Pub Date : 2018-05-10DOI: 10.6000/1929-5030.2018.07.02
U. Mirsaidov, M.Yu. Akramov, I. U. Mirsaidov, O. Azizov
In this article given the mathematical modeling of energy-intensive substances obtaining, which allows expanding the resource base, providing the possibility of using various binary hydrides in the process of aluminum hydride - AlH 3 synthesis. Due to the absence of soluble hydride forms of binary hydrides of alkaline-earth (MH 2 ) metals, it is necessary to carry out at least 4-6 steps of the process for the production of aluminum hydride. Polynomials for the programmed synthesis of AlH 3 with autoinitiation have been developed. A programmed synthesis of aluminum hydride with autoinitiation was developed and implemented, which allows expanding the raw material base enabling the synthesis of other metal hydrides.
{"title":"Modeling of Synthesis of Aluminum Hydride via Binary Hydrides of Alkaline Earth Metals","authors":"U. Mirsaidov, M.Yu. Akramov, I. U. Mirsaidov, O. Azizov","doi":"10.6000/1929-5030.2018.07.02","DOIUrl":"https://doi.org/10.6000/1929-5030.2018.07.02","url":null,"abstract":"In this article given the mathematical modeling of energy-intensive substances obtaining, which allows expanding the resource base, providing the possibility of using various binary hydrides in the process of aluminum hydride - AlH 3 synthesis. Due to the absence of soluble hydride forms of binary hydrides of alkaline-earth (MH 2 ) metals, it is necessary to carry out at least 4-6 steps of the process for the production of aluminum hydride. Polynomials for the programmed synthesis of AlH 3 with autoinitiation have been developed. A programmed synthesis of aluminum hydride with autoinitiation was developed and implemented, which allows expanding the raw material base enabling the synthesis of other metal hydrides.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"12 1","pages":"9-13"},"PeriodicalIF":0.0,"publicationDate":"2018-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84362337","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-11-02DOI: 10.6000/1929-5030.2017.06.03.2
A. Agah, P. Meire, E. Deckere
Improved understanding of water flow and solute transport through the unsaturated zone is important for the sustainable management of soils. As soils are complex and heterogeneous systems, quantification of the transport processes is difficult. More knowledge on the relationship between solute transport process, soil structure, hydrologic initial and boundary conditions, and observation scale is needed here.Modeling unsaturated flow and transport with mathematical or numerical methods is an important tool for predicting the infiltration and redistribution of soil water and the transport of solutes in the unsaturated zone. Flow and transport models are commonly used to support the decision making process in agricultural management, environmental impact assessment, toxic waste control, remediation design, and subsurface cleanup monitoring. The movement of contaminants through porou media describs by the combination of advection, diffusion-dispersion and chemical retardation. The most common model that describes solute transport by convection and dispersion is the convection-dispersion equation (CDE). This equation describes the change in concentration at any point along the flow path as a function of time. This paper is mainly dedicated to a discussion of basic processes for modelling of water flow and contaminant transport in saturated and unsaturated soils. After a brief description of the classical approach for simulating water flow and solute transport in porous media, issues related to water and solute trasport equation in soil.
{"title":"Mathematical Models of Water and Solute Transport in Soil","authors":"A. Agah, P. Meire, E. Deckere","doi":"10.6000/1929-5030.2017.06.03.2","DOIUrl":"https://doi.org/10.6000/1929-5030.2017.06.03.2","url":null,"abstract":"Improved understanding of water flow and solute transport through the unsaturated zone is important for the sustainable management of soils. As soils are complex and heterogeneous systems, quantification of the transport processes is difficult. More knowledge on the relationship between solute transport process, soil structure, hydrologic initial and boundary conditions, and observation scale is needed here.Modeling unsaturated flow and transport with mathematical or numerical methods is an important tool for predicting the infiltration and redistribution of soil water and the transport of solutes in the unsaturated zone. Flow and transport models are commonly used to support the decision making process in agricultural management, environmental impact assessment, toxic waste control, remediation design, and subsurface cleanup monitoring. The movement of contaminants through porou media describs by the combination of advection, diffusion-dispersion and chemical retardation. The most common model that describes solute transport by convection and dispersion is the convection-dispersion equation (CDE). This equation describes the change in concentration at any point along the flow path as a function of time. This paper is mainly dedicated to a discussion of basic processes for modelling of water flow and contaminant transport in saturated and unsaturated soils. After a brief description of the classical approach for simulating water flow and solute transport in porous media, issues related to water and solute trasport equation in soil.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"4 1","pages":"98-104"},"PeriodicalIF":0.0,"publicationDate":"2017-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82797352","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-11-02DOI: 10.6000/1929-5030.2017.06.03.1
A. Kuznetsov
Numerous complexes between versatile derivatives of metalloporphyrins MP (with M being Mn, Co, Ni, Cu, Zn and Fe) and C 60 have been synthesized and characterized recently. Favorable van der Waals attractions between the curved p-surface of the fullerene and the planar p-surface of MP assist in the supramolecular recognition, overcoming the necessity of matching a concave-shaped host with a convex-shaped guest structure. Recently, we reported the computational studies of the structures and electronic properties of the series of metalloporphyrins where all the four pyrrole nitrogen atoms are replaced with P-atoms, MP(P) 4 , M = Sc-Zn. Motivated by the numerous examples of the complex formation between regular planar or quasi-planar MP and C 60 , we computationally investigated possibility of the complex formation between two MP(P) 4 species, ZnP(P) 4 and NiP(P) 4 , and C 60 without any linkers, using the CAM-B3LYP/6-31G* approach, both in the gas phase and with implicit effects from C 6 H 6 . We found that the binding energies in the MP(P) 4 -C 60 complexes for these two MP(P) 4 compounds are relatively low, ca. 1-1.6 kcal/mol and ca. 5 kcal/mol for M = Zn and Ni, respectively. The ZnP(P) 4 species was found to be noticeably distorted in the ZnP(P) 4 -C 60 complex whereas NiP(P) 4 inside the NiP(P) 4 -C 60 complex essentially retained its bowl-like shape. Thus, we showed the possibility of the formation of complexes between MP(P) 4 species and C 60 without any linkers and showed dependence of the complex stability on the transition metal M. Further investigations are in progress.
{"title":"Can MP(P)4 Compounds Form Complexes with C60","authors":"A. Kuznetsov","doi":"10.6000/1929-5030.2017.06.03.1","DOIUrl":"https://doi.org/10.6000/1929-5030.2017.06.03.1","url":null,"abstract":"Numerous complexes between versatile derivatives of metalloporphyrins MP (with M being Mn, Co, Ni, Cu, Zn and Fe) and C 60 have been synthesized and characterized recently. Favorable van der Waals attractions between the curved p-surface of the fullerene and the planar p-surface of MP assist in the supramolecular recognition, overcoming the necessity of matching a concave-shaped host with a convex-shaped guest structure. Recently, we reported the computational studies of the structures and electronic properties of the series of metalloporphyrins where all the four pyrrole nitrogen atoms are replaced with P-atoms, MP(P) 4 , M = Sc-Zn. Motivated by the numerous examples of the complex formation between regular planar or quasi-planar MP and C 60 , we computationally investigated possibility of the complex formation between two MP(P) 4 species, ZnP(P) 4 and NiP(P) 4 , and C 60 without any linkers, using the CAM-B3LYP/6-31G* approach, both in the gas phase and with implicit effects from C 6 H 6 . We found that the binding energies in the MP(P) 4 -C 60 complexes for these two MP(P) 4 compounds are relatively low, ca. 1-1.6 kcal/mol and ca. 5 kcal/mol for M = Zn and Ni, respectively. The ZnP(P) 4 species was found to be noticeably distorted in the ZnP(P) 4 -C 60 complex whereas NiP(P) 4 inside the NiP(P) 4 -C 60 complex essentially retained its bowl-like shape. Thus, we showed the possibility of the formation of complexes between MP(P) 4 species and C 60 without any linkers and showed dependence of the complex stability on the transition metal M. Further investigations are in progress.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"51 1","pages":"91-97"},"PeriodicalIF":0.0,"publicationDate":"2017-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90940004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-06-17DOI: 10.6000/1929-5030.2017.06.02.1
N. Kano, Meiling Pang, Yan-Guo Deng, H. Imaizumi
The adsorption capacity of activated carbon modified with potassium permanganate (KMnO 4 ) for rare earth elements (REEs) from aqueous solution was investigated. The modified activated carbon was characterized by SEM (scanning electron microscopy), FT-IR (Fourier transform infrared spectrometer), and N 2 adsorption-desorption tests. Adsorption experiments from aqueous solutions containing known amounts of some REEs (i.e. La, Lu, Yb, Eu, Y, Sc) onto the carbon were explored in a batch system. The amount of REEs adsorbed at different pH values, initial concentrations, and contact times were determined by inductively coupled plasma-atomic emission spectrometry (ICP-AES) in order to determine the optimum conditions for REEs adsorption. The adsorption of REEs on the activated carbon was well fitted by the Langmuir isothermal adsorption equation. The rates of adsorption were found to conform to pseudo-second order kinetic. These results present the modified activated carbon as an efficient adsorbent for REEs, hence creating new avenues for the treatment of industrial waste waters including pollutants. It is very significant information from the viewpoint of environmental protection.
{"title":"Adsorption of Rare Earth Elements (REEs) onto Activated Carbon Modified with Potassium Permanganate (KMnO4)","authors":"N. Kano, Meiling Pang, Yan-Guo Deng, H. Imaizumi","doi":"10.6000/1929-5030.2017.06.02.1","DOIUrl":"https://doi.org/10.6000/1929-5030.2017.06.02.1","url":null,"abstract":"The adsorption capacity of activated carbon modified with potassium permanganate (KMnO 4 ) for rare earth elements (REEs) from aqueous solution was investigated. The modified activated carbon was characterized by SEM (scanning electron microscopy), FT-IR (Fourier transform infrared spectrometer), and N 2 adsorption-desorption tests. Adsorption experiments from aqueous solutions containing known amounts of some REEs (i.e. La, Lu, Yb, Eu, Y, Sc) onto the carbon were explored in a batch system. The amount of REEs adsorbed at different pH values, initial concentrations, and contact times were determined by inductively coupled plasma-atomic emission spectrometry (ICP-AES) in order to determine the optimum conditions for REEs adsorption. The adsorption of REEs on the activated carbon was well fitted by the Langmuir isothermal adsorption equation. The rates of adsorption were found to conform to pseudo-second order kinetic. These results present the modified activated carbon as an efficient adsorbent for REEs, hence creating new avenues for the treatment of industrial waste waters including pollutants. It is very significant information from the viewpoint of environmental protection.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"63 1","pages":"51-61"},"PeriodicalIF":0.0,"publicationDate":"2017-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87079498","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-06-16DOI: 10.6000/1929-5030.2017.06.02.2
D. Schur, S. Zaginaichenko, T. Veziroglu, A. Veziroğlu, M. Gabdullin
The last thirty years scientists carried out an active search of universal parameter of solvent C60 for predicting the solubility of fullerenes. However, this parameter was not found up to these days. In this paper it has been found an explanation of the impossibility of detection of such parameter. In present paper the features of the solubility of fullerene C60 molecules in nonpolar solvents have been studied. The molecule state diagram of the fullerene Ði60 molecules in solution at temperatures 265A·308 Ðs and pressure range 1A·100 ÐœPа, indicating the existence field of I²- and I³-modifications, has been constructed. Moreover, it has been shown that in the solutions of fullerenes C60 in the I³-state the solubility decreases with a rise in temperature since the chemical activity of fullerene molecule increases. For this reason during extraction procedure the temperature rise causes the value of extraction rate to increase, but solubility – to decrease, i.e. to diminish the concentration of fullerenes molecules in the solvent volume.
{"title":"The Existence of Two Types of Colloidal Solutions of Molecules Fullerene C60","authors":"D. Schur, S. Zaginaichenko, T. Veziroglu, A. Veziroğlu, M. Gabdullin","doi":"10.6000/1929-5030.2017.06.02.2","DOIUrl":"https://doi.org/10.6000/1929-5030.2017.06.02.2","url":null,"abstract":"The last thirty years scientists carried out an active search of universal parameter of solvent C60 for predicting the solubility of fullerenes. However, this parameter was not found up to these days. In this paper it has been found an explanation of the impossibility of detection of such parameter. In present paper the features of the solubility of fullerene C60 molecules in nonpolar solvents have been studied. The molecule state diagram of the fullerene Ði60 molecules in solution at temperatures 265A·308 Ðs and pressure range 1A·100 ÐœPа, indicating the existence field of I²- and I³-modifications, has been constructed. Moreover, it has been shown that in the solutions of fullerenes C60 in the I³-state the solubility decreases with a rise in temperature since the chemical activity of fullerene molecule increases. For this reason during extraction procedure the temperature rise causes the value of extraction rate to increase, but solubility – to decrease, i.e. to diminish the concentration of fullerenes molecules in the solvent volume.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"267 1","pages":"62-74"},"PeriodicalIF":0.0,"publicationDate":"2017-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76741049","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-06-16DOI: 10.6000/1929-5030.2017.06.02.3
S. Barışçı, H. Inan, O. Turkay, A. Dimoglo, D. Erol
Response surface methodology was applied for optimizing indigo carmine (IC) dye removal by electrochemically produced ferrate (VI). Box-Behnken design was employed in this study, and design parameters were pH, Fe (VI) dose and initial dye concentration (C o ). R 2 and adjusted R 2 values were very high that indicated very good accuracy for the employed model. Optimum operational conditions were: 4.08-7.69 for pH, 24-118.83 mg/L for Fe (VI) dose and 60.68-99.13 mg/L for complete removal of IC. Produced by electrochemical method Ferrate (VI) provides high effectiveness for IC dye-containing synthetic wastewater.
{"title":"Degradation of Toxic Indigo Carmine Dye by Electrosynthesized Ferrate (VI)","authors":"S. Barışçı, H. Inan, O. Turkay, A. Dimoglo, D. Erol","doi":"10.6000/1929-5030.2017.06.02.3","DOIUrl":"https://doi.org/10.6000/1929-5030.2017.06.02.3","url":null,"abstract":"Response surface methodology was applied for optimizing indigo carmine (IC) dye removal by electrochemically produced ferrate (VI). Box-Behnken design was employed in this study, and design parameters were pH, Fe (VI) dose and initial dye concentration (C o ). R 2 and adjusted R 2 values were very high that indicated very good accuracy for the employed model. Optimum operational conditions were: 4.08-7.69 for pH, 24-118.83 mg/L for Fe (VI) dose and 60.68-99.13 mg/L for complete removal of IC. Produced by electrochemical method Ferrate (VI) provides high effectiveness for IC dye-containing synthetic wastewater.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"11 1","pages":"75-83"},"PeriodicalIF":0.0,"publicationDate":"2017-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87805116","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-06-16DOI: 10.6000/1929-5030.2017.06.02.4
Mirla Rodríguez, S. Flores, Alexandra Argotte
Moringa pods (MP) was used as bioadsorbent to remove methylene blue (MB) from aqueous solutions under fixed-bed column operation. The bioadsorbent was analyzed by Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM). Surface area (Brunauer-Emmet-Teller) and point of zero charge (pH PZC ) were determined. In this study, pH influence (2.0 to 10.0) was evaluated, keeping constant conditions of bed height (11.0 cm), bioadsorbent dose (2.0 g), dye concentration (20 mg L -1 ), volume (25 mL), contact time (24 h) and room temperature. The MB concentration was determined using UV-spectrophotometry at 662 nm. The results showed that the adsorption was pH dependent. The highest dye removal occurs at pH 7.0 ( Eœ 100%). Infrared spectrum and morphological changes observed by SEM indicate the existence of bioadsorption phenomenon. An adsorption mechanism possible by intermolecular interactions was proposed. The study revealed the applicability of MP for removal of MB at low cost, efficient, eco-friendly and relatively neutral pH.
{"title":"A Preliminary Study on the Removal of Methylene Blue from Aqueous Solution using Moringa Pods as Bioadsorbent under Column Operation","authors":"Mirla Rodríguez, S. Flores, Alexandra Argotte","doi":"10.6000/1929-5030.2017.06.02.4","DOIUrl":"https://doi.org/10.6000/1929-5030.2017.06.02.4","url":null,"abstract":"Moringa pods (MP) was used as bioadsorbent to remove methylene blue (MB) from aqueous solutions under fixed-bed column operation. The bioadsorbent was analyzed by Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM). Surface area (Brunauer-Emmet-Teller) and point of zero charge (pH PZC ) were determined. In this study, pH influence (2.0 to 10.0) was evaluated, keeping constant conditions of bed height (11.0 cm), bioadsorbent dose (2.0 g), dye concentration (20 mg L -1 ), volume (25 mL), contact time (24 h) and room temperature. The MB concentration was determined using UV-spectrophotometry at 662 nm. The results showed that the adsorption was pH dependent. The highest dye removal occurs at pH 7.0 ( Eœ 100%). Infrared spectrum and morphological changes observed by SEM indicate the existence of bioadsorption phenomenon. An adsorption mechanism possible by intermolecular interactions was proposed. The study revealed the applicability of MP for removal of MB at low cost, efficient, eco-friendly and relatively neutral pH.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"6 1","pages":"84-90"},"PeriodicalIF":0.0,"publicationDate":"2017-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81132764","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-04-01DOI: 10.6000/1929-5030.2017.06.01.3
G. Dey, P. Singh
Photo-catalytic mineralization of eosin in aerated 0.1% (w/v) TiO 2 suspended aqueous systems with and without Au 3+ using 350 nm photo light was carried out. Eosin mineralization rate was significantly faster in 2´10 -4 M Au 3+ containing systems in contrast to sole TiO 2 systems, which is due to the participation of Au 3+ and it’s in situ generated various reduced intermediates including gold nanoparticles during mineralization. Furthermore, pulse radiolysis (a well known transient measurement technique) was adopted to analyze the reaction intermediates (eosin-OH adducts and/or eosin radical cation) produced in mineralization by generating in situ · OH and N 3 · species. The reaction rates for · OH and N 3 · reactions with eosin evaluated respectively 5.4´10 9 and 3.0´10 9 dm 3 mol -1 s -1 for the formation of radical cations were slower than the eosin-OH adduct formation rate (reaction rate = 1.4´10 10 dm 3 mol -1 s -1 ). Furthermore, it is proposed that the initially generated eosin- · OH/hole adduct is undergoing mineralization in the presence of air/oxygen.
{"title":"Enhanced Eosin Mineralization in Presence of Au(III) Ions in Aqueous Solutions Containing TiO2 as Suspension","authors":"G. Dey, P. Singh","doi":"10.6000/1929-5030.2017.06.01.3","DOIUrl":"https://doi.org/10.6000/1929-5030.2017.06.01.3","url":null,"abstract":"Photo-catalytic mineralization of eosin in aerated 0.1% (w/v) TiO 2 suspended aqueous systems with and without Au 3+ using 350 nm photo light was carried out. Eosin mineralization rate was significantly faster in 2´10 -4 M Au 3+ containing systems in contrast to sole TiO 2 systems, which is due to the participation of Au 3+ and it’s in situ generated various reduced intermediates including gold nanoparticles during mineralization. Furthermore, pulse radiolysis (a well known transient measurement technique) was adopted to analyze the reaction intermediates (eosin-OH adducts and/or eosin radical cation) produced in mineralization by generating in situ · OH and N 3 · species. The reaction rates for · OH and N 3 · reactions with eosin evaluated respectively 5.4´10 9 and 3.0´10 9 dm 3 mol -1 s -1 for the formation of radical cations were slower than the eosin-OH adduct formation rate (reaction rate = 1.4´10 10 dm 3 mol -1 s -1 ). Furthermore, it is proposed that the initially generated eosin- · OH/hole adduct is undergoing mineralization in the presence of air/oxygen.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"28 1","pages":"28-36"},"PeriodicalIF":0.0,"publicationDate":"2017-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81078948","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-03-01DOI: 10.6000/1929-5030.2017.06.01.1
A. Verenchikov, S. Kirillov, Yury Khasin, Vasily Makarov, M. Yavor, V. Artaev
The paper presents an overview of original inventions, development and experimental results by the group of authors in the area of multi-reflecting time-of-flight mass spectrometry with Folded Flight Path (FFP ® ) (MR-TOFMS) with main focus on multiplexing methods for improving the analysis throughput, i.e. the amount of information per time unit. MR-TOF provides panoramic spectra (virtue of TOFMS), while significantly enhancing resolving power, thus, providing yet more information. Resolving power R=500,000 is demonstrated to resolve isobars and to improve mass accuracy to sub-ppm level. Encoded Frequent Pulsing (EFP TM ) method improves sensitivity, expands dynamic range and opens multiple incarnations of parallel and fast tandem methods of analysis based on using ion traps, TOFMS and ion mobility for rapid and lossless parent ion separations.
{"title":"Multiplexing in Multi-Reflecting TOF MS","authors":"A. Verenchikov, S. Kirillov, Yury Khasin, Vasily Makarov, M. Yavor, V. Artaev","doi":"10.6000/1929-5030.2017.06.01.1","DOIUrl":"https://doi.org/10.6000/1929-5030.2017.06.01.1","url":null,"abstract":"The paper presents an overview of original inventions, development and experimental results by the group of authors in the area of multi-reflecting time-of-flight mass spectrometry with Folded Flight Path (FFP ® ) (MR-TOFMS) with main focus on multiplexing methods for improving the analysis throughput, i.e. the amount of information per time unit. MR-TOF provides panoramic spectra (virtue of TOFMS), while significantly enhancing resolving power, thus, providing yet more information. Resolving power R=500,000 is demonstrated to resolve isobars and to improve mass accuracy to sub-ppm level. Encoded Frequent Pulsing (EFP TM ) method improves sensitivity, expands dynamic range and opens multiple incarnations of parallel and fast tandem methods of analysis based on using ion traps, TOFMS and ion mobility for rapid and lossless parent ion separations.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"109 1","pages":"1-22"},"PeriodicalIF":0.0,"publicationDate":"2017-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74281462","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-03-01DOI: 10.6000/1929-5030.2017.06.01.4
S. Kamalesu, K. Swarnalatha, R. Subramanian
Three new heteroleptic ruthenium(II) complexes containing hydrazine schiff base as ligands were synthesized and characterized by using elemental analysis, FT-IR, 1 H, 13 C NMR, and mass spectroscopic techniques. FT-IR study showed that the substituted phenylhydrazine ligands behave as a monoanionic bidentate O and N donors (L) coordinate to ruthenium via the deprotonated phenolic oxygen and the azomethine nitrogen. They possess excellent thermal stabilities, evident from the thermal decomposition temperatures. Absorption, emission and electrochemical measurements were carried out and the structures of the synthesized complex were optimized using density functional theory (DFT). The molecular geometry, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) energies, Mulliken atomic charges and molecular electrostatic potential (MEP) of the molecules are determined using B3LYP method and standard 6-311++G (d, p) basis set.
{"title":"Synthesis and Computational Investigations of Ruthenium(II) Complexes Containing Hydrazine Schiff Base Ligands","authors":"S. Kamalesu, K. Swarnalatha, R. Subramanian","doi":"10.6000/1929-5030.2017.06.01.4","DOIUrl":"https://doi.org/10.6000/1929-5030.2017.06.01.4","url":null,"abstract":"Three new heteroleptic ruthenium(II) complexes containing hydrazine schiff base as ligands were synthesized and characterized by using elemental analysis, FT-IR, 1 H, 13 C NMR, and mass spectroscopic techniques. FT-IR study showed that the substituted phenylhydrazine ligands behave as a monoanionic bidentate O and N donors (L) coordinate to ruthenium via the deprotonated phenolic oxygen and the azomethine nitrogen. They possess excellent thermal stabilities, evident from the thermal decomposition temperatures. Absorption, emission and electrochemical measurements were carried out and the structures of the synthesized complex were optimized using density functional theory (DFT). The molecular geometry, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) energies, Mulliken atomic charges and molecular electrostatic potential (MEP) of the molecules are determined using B3LYP method and standard 6-311++G (d, p) basis set.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"55 1","pages":"37-50"},"PeriodicalIF":0.0,"publicationDate":"2017-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85015978","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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