Ildikó Ziegler - Academia.edu (original) (raw)
Papers by Ildikó Ziegler
Supramolecular Chemistry, Sep 1, 2004
Pinosylvin and polyhydroxybenzene derivatives are natural components of wood, known for their fun... more Pinosylvin and polyhydroxybenzene derivatives are natural components of wood, known for their fungicidal/fungistatic properties. These components were used as adsorbates in the present investigatio ...
Tetrahedron, 1996
ABSTRACT 5-(1-Pyridinio)-11,17,23-tri-t-butyl-28-hydroxy-25,26,27-trialkoxycalix[4]arene and 5,17... more ABSTRACT 5-(1-Pyridinio)-11,17,23-tri-t-butyl-28-hydroxy-25,26,27-trialkoxycalix[4]arene and 5,17-bis(1-pyridinio)-11,23-di-t-butyl-26,28-dihydroxy-25,27-di(ethoxycarbonyl)methoxycalix[4]arene perchlorates have been synthesized. These compounds acted as chromoionophores exhibiting optical responses in organic solvents upon complexation of Li+. Na+ and K+ salts.
Tetrahedron, 1996
ABSTRACT 5-(1-Pyridinio)-11,17,23-tri-t-butyl-28-hydroxy-25,26,27-trialkoxycalix[4]arene and 5,17... more ABSTRACT 5-(1-Pyridinio)-11,17,23-tri-t-butyl-28-hydroxy-25,26,27-trialkoxycalix[4]arene and 5,17-bis(1-pyridinio)-11,23-di-t-butyl-26,28-dihydroxy-25,27-di(ethoxycarbonyl)methoxycalix[4]arene perchlorates have been synthesized. These compounds acted as chromoionophores exhibiting optical responses in organic solvents upon complexation of Li+. Na+ and K+ salts.
The adsorption of pinosylvin - a natural antifungal agent - on wood was studied by Raman micropro... more The adsorption of pinosylvin - a natural antifungal agent - on wood was studied by Raman microprobe technique. The adsorption properties of twelve different European wood species were compared. The ...
Vibrational Spectroscopy, 2004
The lignin Induline AT was used as model substrate to observe the adsorption of pinosylvin, trans... more The lignin Induline AT was used as model substrate to observe the adsorption of pinosylvin, trans-stilbene, pyrocatechol, resorcinol, hydroquinone, pyrogallol and phloroglucinol. Prior to adsorption the adsorbates were dissolved in diethylether. Infrared spectra of adsorbed compounds were recorded using the diffuse reflectance infrared Fourier transform (DRIFTS) technique. Far IR spectra of the adsorbed pinosylvin and polyhydroxybenzenes were used to facilitate the interpretation on the mechanism of adsorption. Vibrational analysis by quantum chemical calculations, available for most of the polyhydroxybenzenes, were utilized. The interaction between adsorbed species and lignin was found to be mainly mediated through the formation of hydrogen bonds.
Vibrational Spectroscopy, 2007
The Journal of Physical Chemistry A, 2002
Infrared and Raman spectra of pinosylvin were recorded and the vibrational frequencies with the c... more Infrared and Raman spectra of pinosylvin were recorded and the vibrational frequencies with the corresponding infrared intensities were compared with the results of ab initio calculations utilizing the DFT method with the Becke3P86 functional and the 6-31G(d) basis set. Normal coordinate analysis was carried out. The effect of the conformation of the OH groups on the distribution of net charges, molecular energy and vibrational fundamentals were analyzed. One of the OH-cis-OH-trans conformers has the lowest energy. The conformation has a strong effect on the aforementioned properties, e.g., the cis-to-trans transition generates electron repulsion toward the vinylidene group between the two benzene rings. The changes in the different properties are in good accordance with each other. For comparison, the vibrational spectra were also recorded and calculated for the parent compound, trans-stilbene.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2009
This article appeared in a journal published by Elsevier. The attached copy is furnished to the a... more This article appeared in a journal published by Elsevier. The attached copy is furnished to the author for internal non-commercial research and education use, including for instruction at the authors institution and sharing with colleagues. Other uses, including reproduction and distribution, or selling or licensing copies, or posting to personal, institutional or third party websites are prohibited. In most cases authors are permitted to post their version of the article (e.g. in Word or Tex form) to their personal website or institutional repository. Authors requiring further information regarding Elsevier's archiving and manuscript policies are encouraged to visit:
Polymers for Advanced Technologies, 2003
1Institute of Chemistry, Chemical Research Center of the Hungarian Academy of Sciences, Pusztasze... more 1Institute of Chemistry, Chemical Research Center of the Hungarian Academy of Sciences, Pusztaszeri u´t 5967, H-1025 Budapest, Hungary 2Department of Organic Chemical Technology, Budapest University of Technology and Economics, M˝uegyetem rkp. 3, H-1521 Budapest, Hungary ...
Polymers for Advanced Technologies, 2006
Surfaces of three European wood species (namely, English oak, Hungarian oak, and Scots pine) and ... more Surfaces of three European wood species (namely, English oak, Hungarian oak, and Scots pine) and two tropical wood species (namely, teak and cloves) were silylated with dichlorodimethylsilane (DDS), dichlorodiphenylsilane (DPS) and octadecyltrichlorosilane (OTS) in the first step, ...
Journal of Molecular Structure, 2003
The complex formation between chromogenic capped calix 4 arene derivatives comprising indophenol ... more The complex formation between chromogenic capped calix 4 arene derivatives comprising indophenol indicator group(s), and aliphatic amines has been studied by UV/Vis spectroscopy. The equilibrium constants have been determined in ethanol, and-for one ligand-also in dimethylsulfoxide. The results have been interpreted in terms of various types of host-guest interactions and of steric effects.
Journal of Molecular Structure, 1997
ABSTRACT
Journal of Adhesion Science and Technology, 2004
ABSTRACT o describe the wetting properties of various wood types from a practical point of view, ... more ABSTRACT o describe the wetting properties of various wood types from a practical point of view, the surface free energy of six tropical (guava, almond, teak, cloves, mango and neem) and six European wood species (English oak, Norway maple, hazel, ash, alder and Scots pine) were calculated using contact angles by the sessile-drop method. In order to provide water-repellent characteristics to the samples, they were silanized by a less used silylating reagent (using chloroform solution of trimethylsilyl N,N-dimethylcarbamate) and the results were compared with the effect of two commonly used reagents (chloroform solutions of chlorotrimethylsilane and octadecyltrichlorosilane). Since the Lifshitz-van der Waals/acid-base model is widely used in studies of biological surfaces, the energetics of the resultant wood surfaces were quantitatively described in terms of this model. For the mainly hydrophobic wood samples, anomalous surface behaviour (i.e. extremely high water contact angles (130-145°) and in certain cases unreasonably low surface free energy values) was found. Since the Lifshitz-van der Waals/acid-base model did not yield numerical results in some cases and the calculated surface free energies depended on the test liquid triplet used, the limitations in the applicability of this model are also discussed. For comparison, we analyzed our data also in terms of the Chang model.
Global Journal of Engineering Sciences
Supramolecular Chemistry, 2002
The aim of this work was to present a comprehensive vibrational spectroscopic study of 25,26,27,2... more The aim of this work was to present a comprehensive vibrational spectroscopic study of 25,26,27,28-tetrahydroxycalix[4]arene. For this purpose, quantum chemical calculations were carried out at the ab initio HF/4-31G* level, as a consequence of the great size of the molecule. In the frame of these calculations, the symmetry of the molecule was investigated. Trying C 4v , C 2v ,
PDA journal of pharmaceutical science and technology, Jan 15, 2017
In this case study, the principles of Quality Risk Management were applied to review sampling poi... more In this case study, the principles of Quality Risk Management were applied to review sampling points and monitoring frequencies in the Hormonal Tableting unit of a Formulation Development Pilot Plant. In the cleanroom area premises of different functions are located, therefore a general method was established for the risk evaluation based on the Hazard Analysis and Critical Control Points (HACCP) method to evaluate these premises (i.e. production area itself and ancillary clean areas) from the point of view of microbial load and state in order to observe if the existing monitoring program met the emerged advanced monitoring practice.
Ebben a dolgozatban egy új, még üzemesítési fázisban lévő hatóanyag, a ProdAX gyártását optimaliz... more Ebben a dolgozatban egy új, még üzemesítési fázisban lévő hatóanyag, a ProdAX gyártását optimalizáljuk. Méghozzá a kísérlettervezés (Design of Experiment, továbbiakban DoE) módszer szerint, tehát úgy, hogy az elvégzett kísérletek eredményei alapján a gyártási folyamatot megismerjük. Célunk elérni, hogy a kísérleti adatok alapján azonosíthatók legyenek a folyamat kritikus lépései, ill. paraméterei, ismertté váljon a gyártási folyamat paraméterérzékenysége és általában a robosztussága.
Current trends in determinining a practical and safe establishment of a science-based maximum all... more Current trends in determinining a practical and safe establishment of a science-based maximum allowable carryover (MAC) value (or by other words the acceptance limit of the chemical cleaning) of an active pharmaceutical ingredient (API) has been moving since the new recommendation entitled „Risk-based manufacture of pharmaceutical products” (the so-called Risk-MAPP) was issued. The essence of these two approaches – the „old” and the „new” – are desribed and compared in this paper for the possible cross-contamination of any subsequent product occurring on a multipurpose, non-dedicated production line, in general. The latter concept satisfies two main requirements: 1) decisions have to be based on sound scientific knowledge and 2) during assessment tools of quality risk management (QRM) have to be used. This paper can also be used as tutorial.
Supramolecular Chemistry, Sep 1, 2004
Pinosylvin and polyhydroxybenzene derivatives are natural components of wood, known for their fun... more Pinosylvin and polyhydroxybenzene derivatives are natural components of wood, known for their fungicidal/fungistatic properties. These components were used as adsorbates in the present investigatio ...
Tetrahedron, 1996
ABSTRACT 5-(1-Pyridinio)-11,17,23-tri-t-butyl-28-hydroxy-25,26,27-trialkoxycalix[4]arene and 5,17... more ABSTRACT 5-(1-Pyridinio)-11,17,23-tri-t-butyl-28-hydroxy-25,26,27-trialkoxycalix[4]arene and 5,17-bis(1-pyridinio)-11,23-di-t-butyl-26,28-dihydroxy-25,27-di(ethoxycarbonyl)methoxycalix[4]arene perchlorates have been synthesized. These compounds acted as chromoionophores exhibiting optical responses in organic solvents upon complexation of Li+. Na+ and K+ salts.
Tetrahedron, 1996
ABSTRACT 5-(1-Pyridinio)-11,17,23-tri-t-butyl-28-hydroxy-25,26,27-trialkoxycalix[4]arene and 5,17... more ABSTRACT 5-(1-Pyridinio)-11,17,23-tri-t-butyl-28-hydroxy-25,26,27-trialkoxycalix[4]arene and 5,17-bis(1-pyridinio)-11,23-di-t-butyl-26,28-dihydroxy-25,27-di(ethoxycarbonyl)methoxycalix[4]arene perchlorates have been synthesized. These compounds acted as chromoionophores exhibiting optical responses in organic solvents upon complexation of Li+. Na+ and K+ salts.
The adsorption of pinosylvin - a natural antifungal agent - on wood was studied by Raman micropro... more The adsorption of pinosylvin - a natural antifungal agent - on wood was studied by Raman microprobe technique. The adsorption properties of twelve different European wood species were compared. The ...
Vibrational Spectroscopy, 2004
The lignin Induline AT was used as model substrate to observe the adsorption of pinosylvin, trans... more The lignin Induline AT was used as model substrate to observe the adsorption of pinosylvin, trans-stilbene, pyrocatechol, resorcinol, hydroquinone, pyrogallol and phloroglucinol. Prior to adsorption the adsorbates were dissolved in diethylether. Infrared spectra of adsorbed compounds were recorded using the diffuse reflectance infrared Fourier transform (DRIFTS) technique. Far IR spectra of the adsorbed pinosylvin and polyhydroxybenzenes were used to facilitate the interpretation on the mechanism of adsorption. Vibrational analysis by quantum chemical calculations, available for most of the polyhydroxybenzenes, were utilized. The interaction between adsorbed species and lignin was found to be mainly mediated through the formation of hydrogen bonds.
Vibrational Spectroscopy, 2007
The Journal of Physical Chemistry A, 2002
Infrared and Raman spectra of pinosylvin were recorded and the vibrational frequencies with the c... more Infrared and Raman spectra of pinosylvin were recorded and the vibrational frequencies with the corresponding infrared intensities were compared with the results of ab initio calculations utilizing the DFT method with the Becke3P86 functional and the 6-31G(d) basis set. Normal coordinate analysis was carried out. The effect of the conformation of the OH groups on the distribution of net charges, molecular energy and vibrational fundamentals were analyzed. One of the OH-cis-OH-trans conformers has the lowest energy. The conformation has a strong effect on the aforementioned properties, e.g., the cis-to-trans transition generates electron repulsion toward the vinylidene group between the two benzene rings. The changes in the different properties are in good accordance with each other. For comparison, the vibrational spectra were also recorded and calculated for the parent compound, trans-stilbene.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2009
This article appeared in a journal published by Elsevier. The attached copy is furnished to the a... more This article appeared in a journal published by Elsevier. The attached copy is furnished to the author for internal non-commercial research and education use, including for instruction at the authors institution and sharing with colleagues. Other uses, including reproduction and distribution, or selling or licensing copies, or posting to personal, institutional or third party websites are prohibited. In most cases authors are permitted to post their version of the article (e.g. in Word or Tex form) to their personal website or institutional repository. Authors requiring further information regarding Elsevier's archiving and manuscript policies are encouraged to visit:
Polymers for Advanced Technologies, 2003
1Institute of Chemistry, Chemical Research Center of the Hungarian Academy of Sciences, Pusztasze... more 1Institute of Chemistry, Chemical Research Center of the Hungarian Academy of Sciences, Pusztaszeri u´t 5967, H-1025 Budapest, Hungary 2Department of Organic Chemical Technology, Budapest University of Technology and Economics, M˝uegyetem rkp. 3, H-1521 Budapest, Hungary ...
Polymers for Advanced Technologies, 2006
Surfaces of three European wood species (namely, English oak, Hungarian oak, and Scots pine) and ... more Surfaces of three European wood species (namely, English oak, Hungarian oak, and Scots pine) and two tropical wood species (namely, teak and cloves) were silylated with dichlorodimethylsilane (DDS), dichlorodiphenylsilane (DPS) and octadecyltrichlorosilane (OTS) in the first step, ...
Journal of Molecular Structure, 2003
The complex formation between chromogenic capped calix 4 arene derivatives comprising indophenol ... more The complex formation between chromogenic capped calix 4 arene derivatives comprising indophenol indicator group(s), and aliphatic amines has been studied by UV/Vis spectroscopy. The equilibrium constants have been determined in ethanol, and-for one ligand-also in dimethylsulfoxide. The results have been interpreted in terms of various types of host-guest interactions and of steric effects.
Journal of Molecular Structure, 1997
ABSTRACT
Journal of Adhesion Science and Technology, 2004
ABSTRACT o describe the wetting properties of various wood types from a practical point of view, ... more ABSTRACT o describe the wetting properties of various wood types from a practical point of view, the surface free energy of six tropical (guava, almond, teak, cloves, mango and neem) and six European wood species (English oak, Norway maple, hazel, ash, alder and Scots pine) were calculated using contact angles by the sessile-drop method. In order to provide water-repellent characteristics to the samples, they were silanized by a less used silylating reagent (using chloroform solution of trimethylsilyl N,N-dimethylcarbamate) and the results were compared with the effect of two commonly used reagents (chloroform solutions of chlorotrimethylsilane and octadecyltrichlorosilane). Since the Lifshitz-van der Waals/acid-base model is widely used in studies of biological surfaces, the energetics of the resultant wood surfaces were quantitatively described in terms of this model. For the mainly hydrophobic wood samples, anomalous surface behaviour (i.e. extremely high water contact angles (130-145°) and in certain cases unreasonably low surface free energy values) was found. Since the Lifshitz-van der Waals/acid-base model did not yield numerical results in some cases and the calculated surface free energies depended on the test liquid triplet used, the limitations in the applicability of this model are also discussed. For comparison, we analyzed our data also in terms of the Chang model.
Global Journal of Engineering Sciences
Supramolecular Chemistry, 2002
The aim of this work was to present a comprehensive vibrational spectroscopic study of 25,26,27,2... more The aim of this work was to present a comprehensive vibrational spectroscopic study of 25,26,27,28-tetrahydroxycalix[4]arene. For this purpose, quantum chemical calculations were carried out at the ab initio HF/4-31G* level, as a consequence of the great size of the molecule. In the frame of these calculations, the symmetry of the molecule was investigated. Trying C 4v , C 2v ,
PDA journal of pharmaceutical science and technology, Jan 15, 2017
In this case study, the principles of Quality Risk Management were applied to review sampling poi... more In this case study, the principles of Quality Risk Management were applied to review sampling points and monitoring frequencies in the Hormonal Tableting unit of a Formulation Development Pilot Plant. In the cleanroom area premises of different functions are located, therefore a general method was established for the risk evaluation based on the Hazard Analysis and Critical Control Points (HACCP) method to evaluate these premises (i.e. production area itself and ancillary clean areas) from the point of view of microbial load and state in order to observe if the existing monitoring program met the emerged advanced monitoring practice.
Ebben a dolgozatban egy új, még üzemesítési fázisban lévő hatóanyag, a ProdAX gyártását optimaliz... more Ebben a dolgozatban egy új, még üzemesítési fázisban lévő hatóanyag, a ProdAX gyártását optimalizáljuk. Méghozzá a kísérlettervezés (Design of Experiment, továbbiakban DoE) módszer szerint, tehát úgy, hogy az elvégzett kísérletek eredményei alapján a gyártási folyamatot megismerjük. Célunk elérni, hogy a kísérleti adatok alapján azonosíthatók legyenek a folyamat kritikus lépései, ill. paraméterei, ismertté váljon a gyártási folyamat paraméterérzékenysége és általában a robosztussága.
Current trends in determinining a practical and safe establishment of a science-based maximum all... more Current trends in determinining a practical and safe establishment of a science-based maximum allowable carryover (MAC) value (or by other words the acceptance limit of the chemical cleaning) of an active pharmaceutical ingredient (API) has been moving since the new recommendation entitled „Risk-based manufacture of pharmaceutical products” (the so-called Risk-MAPP) was issued. The essence of these two approaches – the „old” and the „new” – are desribed and compared in this paper for the possible cross-contamination of any subsequent product occurring on a multipurpose, non-dedicated production line, in general. The latter concept satisfies two main requirements: 1) decisions have to be based on sound scientific knowledge and 2) during assessment tools of quality risk management (QRM) have to be used. This paper can also be used as tutorial.