2023 |
Maeder M, 'Dedicated to Edmund R. Malinowski. Secondary, model-based examination of model-free analysis results: Making the most of soft-modelling outcomes', JOURNAL OF CHEMOMETRICS, 37 (2023) [C1]
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Nova |
2023 |
Maeder M, Rasouli Z, Azizi Y, 'On The Existence of Nonunique Equilibrium States.', J Phys Chem A, 127 8280-8286 (2023) [C1]
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Nova |
2021 |
Rasouli Z, Maeder M, Abdollahi H, 'Using chemical modeling for designing of optimal pH sensor based on analytical sensitivity enhancement', Microchemical Journal, 168 (2021) [C1]
The behavior of chemical systems can be predicted based on the chemical model or the law of mass action in combining with Beer's Law. The information about chemical behavior ... [more]
The behavior of chemical systems can be predicted based on the chemical model or the law of mass action in combining with Beer's Law. The information about chemical behavior of different species in an equilibrium condition and pure responses of active species propound the idea of using this information for designing of sensors, systematically. In this contribution, we applied chemical modeling for designing pH sensors using common pH indicators. Because individually considered they display a limited dynamic range, two or more pH indicators are usually required for the pH measurements in a broad pH range. Two different aspects were considered: 1) finding the optimum approach for the combination of pH indicators (i.e. an array or a mixture of indicators in solution), in this regard, analytical sensitivity is used as an optimization criterion and 2) tuning equilibrium constants of indicators to produce new desired pH indicators. The tuning of apparent constants was performed using a surfactant solution. An array of a certain indicator in the aqueous and micellar phase increases its dynamic pH range. Three pH indicators including phenol red, neutral red, and methyl orange were selected and their interactions with the micellar phase of Brij-35 were investigated. Based on the obtained information about the behavior of the indicators in micellar solution, the optimum pH sensor was then designed and pH was predicted with the root mean square error of pH prediction value of 0.1.
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Nova |
2021 |
Rasouli Z, Maeder M, Abdollahi H, 'Chemical model-based optimization of a sensor array for simultaneous determination of glucose and fructose', MICROCHEMICAL JOURNAL, 172 (2021) [C1]
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Nova |
2021 |
Li L, Chen X, Chen Z, Gao R, Yu H, Yuan T, et al., 'Heterogeneous catalysts for the hydrogenation of amine/alkali hydroxide solvent captured CO2 to formate: A review', GREENHOUSE GASES-SCIENCE AND TECHNOLOGY, 11 807-823 (2021) [C1]
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Nova |
2020 |
de Juan A, Mas S, Maeder M, Tauler R, 'A perspective on modeling evolution', Journal of Chemometrics, 34 (2020) [C1]
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Nova |
2020 |
Rasouli Z, Abdollahi H, Maeder M, 'Generalized indicator-based determination of solution pH', Analytica Chimica Acta, 1109 90-97 (2020) [C1]
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Nova |
2020 |
Neymeyr K, Sawall M, Rasouli Z, Maeder M, 'On the avoidance of crossing of singular values in the evolving factor analysis', Journal of Chemometrics, 34 (2020) [C1]
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Nova |
2020 |
Golshan A, Evans C, Geary P, Morrow A, Maeder M, Tauler R, 'Patterns of cyanobacterial abundance in a major drinking water reservoir: what 3 years of comprehensive monitoring data reveals?', Environmental Monitoring and Assessment, 192 (2020) [C1]
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Nova |
2020 |
Puxty G, Maeder M, 'Using chemometrics tools to gain detailed molecular information on chemical processes', Journal of Chemometrics, 34 (2020) [C1]
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Nova |
2020 |
Golshan A, Evans C, Geary P, Morrow A, Rogers Z, Maeder M, 'Turning Routine Data into Systems Insight: Multivariate Analysis of Water Quality Dynamics in a Major Drinking Water Reservoir', Environmental Modeling and Assessment, 25 565-579 (2020) [C1]
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Nova |
2019 |
Karimvand SK, Xuan AN, Abdollahi H, Burns R, Clifford S, Maeder M, et al., 'Activity-based analysis of potentiometric pH titrations', ANALYTICA CHIMICA ACTA, 1075 49-56 (2019) [C1]
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Nova |
2019 |
Karimvand SK, Maeder M, Abdollahi H, 'A chemical equilibrium modelling strategy for tuning the apparent equilibrium constants of the chemical systems', ANALYTICA CHIMICA ACTA, 1049 29-37 (2019) [C1]
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Nova |
2019 |
Li L, Puxty G, Maeder M, Burns R, Yu H, Conway W, 'Kinetic Absorption of CO2 into Blended Ammonia (NH3) Solutions with a New Cyclic Amine 4-Aminomethyltetrahydropyran (4-AMTHP)', ENERGY & FUELS, 33 5377-5383 (2019) [C1]
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Nova |
2018 |
Maeder M, 'Topics in chemometrics, TIC 2017, a personal report', JOURNAL OF CHEMOMETRICS, 32 (2018)
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2018 |
Yu B, Li L, Yu H, Maeder M, Puxty G, Yang Q, et al., 'Insights into the Chemical Mechanism for CO2(aq) and H+ in Aqueous Diamine Solutions - An Experimental Stopped-Flow Kinetic and H-1/C-13 NMR Study of Aqueous Solutions of N,N-Dimethylethylenediamine for Postcombustion CO2 Capture', ENVIRONMENTAL SCIENCE & TECHNOLOGY, 52 916-926 (2018) [C1]
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Nova |
2018 |
Piqueras S, Bedia C, Beleites C, Krafft C, Popp J, Maeder M, et al., 'Handling Different Spatial Resolutions in Image Fusion by Multivariate Curve Resolution-Alternating Least Squares for Incomplete Image Multisets', Analytical Chemistry, 90 6757-6765 (2018) [C1]
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Nova |
2018 |
Brasca R, Kelterer AM, Maeder M, Alcaráz MR, Culzoni MJ, 'Quantum chemical computation-based strategy for alternating least squares initialization in multivariate curve resolution analysis of spectral-pH data', Microchemical Journal, 140 183-188 (2018) [C1]
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Nova |
2018 |
Rezaei F, Sheikholeslami M, Vosough M, Maeder M, 'Handling of highly coeluted chromatographic peaks by multivariate curve resolution for a complex bioanalytical problem: Quantitation of selected corticosteroids and mycophenolic acid in human plasma', Talanta, 187 1-12 (2018) [C1]
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Nova |
2018 |
Yu H, Yang N, Maeder M, Feron P, 'Kinetics of the reversible reaction of CO2(aq) with taurate in aqueous solution', GREENHOUSE GASES-SCIENCE AND TECHNOLOGY, 8 672-685 (2018) [C1]
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Nova |
2018 |
Li L, Bennett R, Conway W, Yu H, Clifford S, Maeder M, Puxty G, 'Development and Evaluation of a Novel Method for Determining Absorbent Composition in Aqueous Ammonia-Based CO2 and SO32- and SO42- Loaded Capture Process Solutions via FT-IR Spectroscopy', ENERGY & FUELS, 32 8563-8570 (2018) [C1]
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Nova |
2018 |
Napitupulu M, Walanda DK, Lawrance GA, Maeder M, 'Phosphate ester hydrolysis promoted by an amidopyridine carboxylate complex', Rasayan Journal of Chemistry, 11 894-903 (2018) [C1]
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Nova |
2017 |
Li L, Conway W, Burns R, Maeder M, Puxty G, Clifford S, Yu H, 'Investigation of metal ion additives on the suppression of ammonia loss and CO2 absorption kinetics of aqueous ammonia-based CO2 capture', INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL, 56 165-172 (2017) [C1]
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Nova |
2017 |
Li L, Clifford S, Puxty G, Maeder M, Burns R, Yu H, Conway W, 'Kinetic and Equilibrium Reactions of a New Heterocyclic Aqueous 4-Aminomethyltetrahydropyran (4-AMTHP) Absorbent for Post Combustion Carbon Dioxide (CO2) Capture Processes', ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 5 9200-9206 (2017) [C1]
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Nova |
2017 |
Li L, Burns RC, Maeder M, Puxty G, Wang S, Yu H, 'The determination of the Henry's Coefficient of reactive gases An example of CO
The Henry's Coefficient of CO2 is a fundamental property, it quantifies the equilibrium between the partial pressure of CO2 in the gas phase and the concentration of dissolve... [more]
The Henry's Coefficient of CO2 is a fundamental property, it quantifies the equilibrium between the partial pressure of CO2 in the gas phase and the concentration of dissolved free CO2 in the liquid phase. This value is critical for simulation and may lead to improvements in the process of post combustion capture of CO2. However, because of its reactive nature, CO2 reacts in amine solutions and forms multiple carbon-containing species, so that the free CO2 concentration is very small and difficult to determine. The ¿N2O analogy¿ has been used to estimate the physical solubility of CO2 based on the assumption that the two gases behave similarly in water and amine solutions. In the current study, a direct way is proposed for the determination of the Henry's Coefficient of CO2 in MEA solutions. The method only requires vapor-liquid equilibrium (VLE) measurements of the MEA-CO2-H2O system; and all equilibrium/protonation constants for all solution reactions are sourced from the open literature while activity coefficients for all ionic species were estimated using the Davis equation. The free CO2 concentration in solution can be computed using the total MEA concentration, total CO2 concentration and temperature, which allows the determination of the Henry's Coefficient from the CO2 partial pressure. A 10-parameter polynomial is used to approximate the Henry's Coefficient as a function of the total MEA concentration, total CO2 concentration and temperature. VLE calculations were performed using the liquid-phase equilibrium calculations and the polynomial function calculating the Henry's Coefficient, and the results show the VLE calculations are adequate to describe the VLE data.
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Nova |
2017 |
de Berg K, Maeder M, Clifford S, 'The thermodynamic formation constants for iron(III) thiocyanate complexes at zero ionic strength', Inorganica Chimica Acta, 466 249-253 (2017) [C1]
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Nova |
2017 |
Piqueras Solsona S, Maeder M, Tauler R, de Juan A, 'A new matching image preprocessing for image data fusion', CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 164 32-42 (2017) [C1]
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Nova |
2016 |
Conway W, Fernandes D, Rodriguez C, Burns R, Martinez M, Maeder M, 'Activation Volumes for the Hydration Reactions of Carbon Dioxide', Australian Journal of Chemistry, 69 262-266 (2016) [C1]
The hydration of CO2(aq) via reaction with H2O and OH- has been investigated using a high-pressure stopped flow apparatus, and the relevant rate constants for the reactions have b... [more]
The hydration of CO2(aq) via reaction with H2O and OH- has been investigated using a high-pressure stopped flow apparatus, and the relevant rate constants for the reactions have been determined using a global analysis approach. The joint analysis of a series of kinetic measurements, for the formation and decomposition reactions, at a range of pressures from 400 to 1000atm has been performed, and from the pressure dependence of the rate constants, the corresponding activation volume profiles determined for the two kinetic pathways. While a previous report exists for the hydration reaction with water, to our knowledge the activation volumes for the reaction of CO2 with hydroxide in this paper are the first to be reported in the literature. The extensive measurement data and robustness of the analysis approach, which additionally incorporates into, and corrects for, the effect of ionic strength on the kinetic data, positions the current data as the most reliable to date.
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Nova |
2016 |
de Berg K, Maeder M, Clifford S, 'A new approach to the equilibrium study of iron(III) thiocyanates which accounts for the kinetic instability of the complexes particularly observable under high thiocyanate concentrations', INORGANICA CHIMICA ACTA, 445 155-159 (2016) [C1]
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Nova |
2016 |
Golshan A, Abdollahi H, Beyramysoltan S, Maeder M, Neymeyr K, Rajko R, et al., 'A review of recent methods for the determination of ranges of feasible solutions resulting from soft modelling analyses of multivariate data', ANALYTICA CHIMICA ACTA, 911 1-13 (2016) [C1]
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Nova |
2016 |
Rostami A, Abdollahi H, Maeder M, 'Enhanced target factor analysis', Analytica Chimica Acta, 911 35-41 (2016) [C1]
Target testing or target factor analysis, TFA, is a well-established soft analysis method. TFA answers the question whether an independent target test vector measured at the same ... [more]
Target testing or target factor analysis, TFA, is a well-established soft analysis method. TFA answers the question whether an independent target test vector measured at the same wavelengths as the collection of spectra in a data matrix can be excluded as the spectrum of one of the components in the system under investigation. Essentially, TFA cannot positively prove that a particular test spectrum is the true spectrum of one of the components, it can, only reject a spectrum. However, TFA will not reject, or in other words TFA will accept, many spectra which cannot be component spectra. Enhanced Target Factor Analysis, ETFA addresses the above problem. Compared with traditional TFA, ETFA results in a significantly narrower range of positive results, i.e. the chance of a false positive test result is dramatically reduced. ETFA is based on feasibility testing as described in Refs. [16-19]. The method has been tested and validated with computer generated and real data sets.
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Nova |
2015 |
Emami F, Maeder M, Abdollahi H, 'Model-based analysis of coupled equilibrium-kinetic processes: indirect kinetic studies of thermodynamic parameters using the dynamic data', ANALYST, 140 3121-3135 (2015) [C1]
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Nova |
2015 |
Phan DT, Maeder M, Burns RC, Puxty G, 'Catalysis of CO
A promising option to improve post combustion capture (PCC) is to use inorganic catalysts to accelerate the absorption process of CO2, in particular the reaction between CO2 and w... [more]
A promising option to improve post combustion capture (PCC) is to use inorganic catalysts to accelerate the absorption process of CO2, in particular the reaction between CO2 and water to form carbonic acid. In this study, the efficiency of sulfate and vanadate on enhancing the hydration reaction of CO2 to form H2CO3 for PCC has been studied at 25°C by stopped-flow spectrophotometry. The catalytic rate constants were determined to be 14.2(2) and 277(6)M-1s-1 for sulfate and vanadate, respectively. Their application to PCC was further investigated by simulating the effect of these catalysts on the absorption process under PCC operating conditions. Vanadate was confirmed to have a greater efficiency toward CO2 hydration than sulfate and also a series of other inorganic catalysts reported earlier.
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Nova |
2015 |
Li L, Conway W, Puxty G, Burns R, Clifford S, Maeder M, Yu H, 'The effect of piperazine (PZ) on CO
Piperazine (PZ) has been reported as an effective rate promoter in the aqueous ammonia-based solvent process for the post combustion capture (PCC) of CO2. However, the detailed pr... [more]
Piperazine (PZ) has been reported as an effective rate promoter in the aqueous ammonia-based solvent process for the post combustion capture (PCC) of CO2. However, the detailed promotion effect of PZ on CO2 absorption into partially loaded ammonia solutions and the mechanism of this process are still unclear. In an effort to determine the detailed promotion effect of PZ in aqueous ammonia-based solvents, overall mass transfer coefficients (KG) describing the absorption of CO2 into aqueous PZ/NH3 solutions were determined using a wetted-wall column apparatus at 25°C. The effect of added PZ (from 0 to 0.5M) on the mass transfer of CO2 into 3.0M NH3 solutions over a range of pre-loaded CO2 concentrations of 0.9M at 25°C are reported in this work. The fast kinetic reactions of CO2(aq) with blended solutions containing PZ/NH3 were investigated using stopped-flow spectrophotometry at 25.0°C. Analysis of the kinetic measurements using a chemical model which incorporates the complete reaction sets of the individual amines with CO2 (i.e., NH3-CO2-H2O and PZ-CO2-H2O) resulted in good agreement with the experimental data. The contribution distribution from each reactive species was calculated based on the proposed reaction scheme of the PZ-NH3-CO2-H2O system. Results show that both the PZ/PZH+ and PZCO2-/PZCO2H pathways make contributions to the promotion of CO2 absorption into PZ promoted aqueous NH3 solutions. Importantly, the reactive piperazine mono-carbamate species, PZCO2-/PZCO2H, which is present in the CO2-loaded mixtures of PZ/NH3, plays an important role in the promotion of CO2 absorption into CO2-loaded aqueous NH3 solutions. The mass transfer simulation results reveal that there are additional reactions occurring in the gas-liquid interface and gas phase due to the volatility of NH3, which requires further improvement on the simulation model.
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Nova |
2015 |
Phan DT, Burns RC, Puxty G, Williams M, Haritos VS, Maeder M, 'A study of bovine and human carbonic anhydrases as a model enzyme system for CO
The Post Combustion Capture (PCC) process is currently the most applicable and effective approach to reduce emissions of CO2 from fossil fuel electricity generation. If the rate o... [more]
The Post Combustion Capture (PCC) process is currently the most applicable and effective approach to reduce emissions of CO2 from fossil fuel electricity generation. If the rate of CO2 hydration can be accelerated, the size of the absorber column can be reduced accordingly. Carbonic anhydrase type II (CAII), being one of the most active enzymes known for the reaction of CO2 with H2O, is a promising catalyst for CO2 absorption in aqueous solution for PCC application. In this study, the catalytic efficiencies of human (hCAII), wild type bovine (wtbCAII), and a series of wtbCAIIs (bCAM1-bCAM9) structurally modified in an attempt to improve thermal and salt stability were determined by stopped-flow spectrophotometry at 25°C. wtbCAII and hCAII were found to have the highest activity for the hydration of CO2 while bCAM9 was the least efficient catalyst (catalytic rate constants of 1.198(6)×108, 1.14(1)×108 and 0.77(2)×108M-1s-1, respectively). The remaining mutants have similar catalytic efficiencies for CO2 hydration and fall in the range of 8.63(6)×107-1.072(2)×108M-1s-1. In addition to these results, this study also verifies the analytical method developed for the study of enzymatic systems.
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Nova |
2015 |
Richner G, Puxty G, Carnal A, Conway W, Maeder M, Pearson P, 'Thermokinetic properties and performance evaluation of benzylamine-based solvents for CO
Carbon dioxide (CO2) post combustion capture and storage is the most mature technology option for the mitigation of CO2 emissions from fossil fuel electricity generation. Typicall... [more]
Carbon dioxide (CO2) post combustion capture and storage is the most mature technology option for the mitigation of CO2 emissions from fossil fuel electricity generation. Typically CO2 separation at low pressure is achieved by reactive chemical absorption using aqueous amines. In this work benzylamine (BZA) has been assessed in terms of the chemical and physical properties relevant for its application as an aqueous amine CO2 absorbent. BZA was found to have similar reaction kinetics with CO2 to monoethanolamine (MEA) (kcarb=7600M-1s-1 at 35°C and Ea=38kJmol-1) and similar carbamate stability but with a ~40% larger enthalpy of protonation. It was also found to be less corrosive and have lower viscosity and heat capacity. Significant performance gains relative to MEA 30wt% were predicted by using BZA in a formulation with either MEA or 2-amino-2-methyl-1-proponal (AMP) with predicted reductions in reboiler duty up to 13%, improvements in mass transfer up to 20% and low corrosion potential.
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Nova |
2014 |
Conway W, Beyad Y, Maeder M, Burns R, Feron P, Puxty G, 'CO
Global efforts to reduce carbon dioxide emissions stemming from the combustion of fossil fuels have acknowledged and focused on the implementation of post combustion capture (PCC)... [more]
Global efforts to reduce carbon dioxide emissions stemming from the combustion of fossil fuels have acknowledged and focused on the implementation of post combustion capture (PCC) technologies utilizing aqueous amine solvents to fulfill this role. The cyclic diamine solvent piperazine has received significant attention for application as a CO2 capture solvent, predominantly for its rapid reactivity with CO2. A thorough investigation of alternative but simpler cyclic amines incorporating a single amine group into the cyclic structure may reveal further insight into the superior kinetic performance of piperazine and the wider applicability of such cyclic solvents for PCC processes. One such example is the cyclic monoamine 3-piperidinemethanol (3-PM). To facilitate the evaluation of 3-PM as a capture solvent requires knowledge of the fundamental chemical parameters describing the kinetic and equilibrium of the reactions occurring in solutions containing CO2 and 3-PM. Additionally, in parallel with the preceding, experimental measurements of CO2 absorption into 3-PM solutions, including mass transfer and vapor-liquid equilibrium measurements, can be used to validate the CO2 absorption performance in 3-PM solutions and compared to that of monoethanolamine (MEA) under similar conditions. The present study is focused in two parts on (a) determination of fundamental kinetic and equilibrium constants via the analysis of stopped-flow kinetic and quantitative equilibrium measurements via 1H/13C nuclear magnetic resonance (NMR) spectroscopy and (b) experimental measurements of CO2 absorption into 3-PM solutions via wetted wall column kinetic measurements, vapor-liquid equilibrium measurements, and corresponding physical property data including densities and viscosities of the amine solutions over a range of concentrations and CO2 loadings. Fundamental kinetic rate constants describing the reaction of CO2 with 3-PM are significantly faster than MEA at similar temperatures (3-PM = 32 × 103 M-1 s-1, extrapolated to 40 °C from kinetic data between 15.0 and 35.0 °C; MEA = 13 × 103 M-1 s-1, 40 °C). Conversely, the equilibrium constants describing the reaction between bicarbonate and amine, often termed carbamate stability constants, are significantly lower for 3-PM than MEA at similar temperatures. Overall CO2 absorption rates in 3.0 M solutions of 3-PM and MEA, assessed in overall CO2 mass transfer coefficients, are lower in the former case over the entire range of CO2 loadings from 0.0 to 0.4 mol of CO2 per mol of amine. The reduced absorption rates in the 3-PM solutions can be attributed to higher solution viscosities and thus corresponding reductions in CO2 diffusion. CO2 absorption and cyclic capacities in 3.0 M solutions of 3-PM and MEA were found to be significantly higher in the case of 3-PM. The larger CO2 capacities are attributed to the lower stability 3-PM carbamate and the formation of larger amounts of bicarbonate compared to MEA. Overall, the larger CO2 absorption capacity, cyclic capacity, and rapid kinetics with CO2 position 3-PM as an attractive CO2 capture solvent.
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2014 |
Yang N, Xu DY, Wei CC, Puxty G, Yu H, Maeder M, et al., 'Protonation constants and thermodynamic properties of amino acid salts for CO
Amino acid salts have greater potential for CO2 capture at high temperatures than typical amine-based absorbents because of their low volatility, high absorption rate, and high ox... [more]
Amino acid salts have greater potential for CO2 capture at high temperatures than typical amine-based absorbents because of their low volatility, high absorption rate, and high oxidative stability. The protonation constant (pKA) of an amino acid salt is crucial for CO2 capture, as it decreases with increasing absorption temperature. However, published pKA values of amino acid salts have usually been determined at ambient temperatures. In this study, the pKA values of 11 amino acid salts were determined in the temperature range of 298-353 K using a potentiometric titration method. The standard-state molar enthalpies (¿Hm0) and entropies (¿Sm0) of the protonation reactions were also determined by the van't Hoff equation. It was found that sarcosine can maintain a higher pKA than the other amino acids studied at high temperatures. We also found that the CO2 solubilities and overall mass-transfer coefficients of 5 m' sarcosinate (moles of sarcosine per kilogram of solution) at 333-353 K are higher than those of 30% MEA at 313-353 K. These results show that some possible benefits can be produced from the use of sarcosine as a fast solvent for CO2 absorption at high temperatures. However, the pronotation reaction of sarcosine is the least exothermic among those of all amino acids studied. This could lead to a high regeneration energy consumption in the sarcosinate-based CO2 capture process. © 2014 American Chemical Society.
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Nova |
2014 |
Conway W, Beyad Y, Maeder M, Burns R, Feron P, Puxty G, 'CO2 absorption into aqueous solutions containing 3-piperidinemethanol: CO2 mass transfer, stopped-flow kinetics, 1H/13C NMR, and vapor-liquid equilibrium investigations', Industrial and Engineering Chemistry Research, 53 16715-16724 (2014) [C1]
© 2014 American Chemical Society. Global efforts to reduce carbon dioxide emissions stemming from the combustion of fossil fuels have acknowledged and focused on the implementatio... [more]
© 2014 American Chemical Society. Global efforts to reduce carbon dioxide emissions stemming from the combustion of fossil fuels have acknowledged and focused on the implementation of post combustion capture (PCC) technologies utilizing aqueous amine solvents to fulfill this role. The cyclic diamine solvent piperazine has received significant attention for application as a CO2 capture solvent, predominantly for its rapid reactivity with CO2. A thorough investigation of alternative but simpler cyclic amines incorporating a single amine group into the cyclic structure may reveal further insight into the superior kinetic performance of piperazine and the wider applicability of such cyclic solvents for PCC processes. One such example is the cyclic monoamine 3-piperidinemethanol (3-PM). To facilitate the evaluation of 3-PM as a capture solvent requires knowledge of the fundamental chemical parameters describing the kinetic and equilibrium of the reactions occurring in solutions containing CO2 and 3-PM. Additionally, in parallel with the preceding, experimental measurements of CO2 absorption into 3-PM solutions, including mass transfer and vapor-liquid equilibrium measurements, can be used to validate the CO2 absorption performance in 3-PM solutions and compared to that of monoethanolamine (MEA) under similar conditions. The present study is focused in two parts on (a) determination of fundamental kinetic and equilibrium constants via the analysis of stopped-flow kinetic and quantitative equilibrium measurements via 1H/13C nuclear magnetic resonance (NMR) spectroscopy and (b) experimental measurements of CO2 absorption into 3-PM solutions via wetted wall column kinetic measurements, vapor-liquid equilibrium measurements, and corresponding physical property data including densities and viscosities of the amine solutions over a range of concentrations and CO2 loadings. Fundamental kinetic rate constants describing the reaction of CO2 with 3-PM are significantly faster than MEA at similar temperatures (3-PM = 32 × 103 M-1 s-1, extrapolated to 40 °C from kinetic data between 15.0 and 35.0 °C; MEA = 13 × 103 M-1 s-1, 40 °C). Conversely, the equilibrium constants describing the reaction between bicarbonate and amine, often termed carbamate stability constants, are significantly lower for 3-PM than MEA at similar temperatures. Overall CO2 absorption rates in 3.0 M solutions of 3-PM and MEA, assessed in overall CO2 mass transfer coefficients, are lower in the former case over the entire range of CO2 loadings from 0.0 to 0.4 mol of CO2 per mol of amine. The reduced absorption rates in the 3-PM solutions can be attributed to higher solution viscosities and thus corresponding reductions in CO2 diffusion. CO2 absorption and cyclic capacities in 3.0 M solutions of 3-PM and MEA were found to be significantly higher in the case of 3-PM. The larger CO2 capacities are attributed to the lower stability 3-PM carbamate and the formation of larger amounts of bicarbonate compared to MEA. Overall, the larger CO2 absorption capacity, cyclic capacity, and rapid kinetics with CO2 position 3-PM as an attractive CO2 capture solvent.
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Nova |
2014 |
Alibrandi G, Lister DG, Lo Vecchio C, Maeder M, '[1.1.1]Cryptand: directions for its use as a variable-pH kinetic molecular device', NEW JOURNAL OF CHEMISTRY, 38 561-567 (2014) [C1]
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Nova |
2014 |
Beyad Y, Burns R, Puxty G, Maeder M, 'A speciation study of sulfur(IV) in aqueous solution', DALTON TRANSACTIONS, 43 2147-2152 (2014) [C1]
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Nova |
2014 |
Comba P, Gahan LR, Hanson GR, Maeder M, Westphal M, 'Carbonic anhydrase activity of dinuclear Cu-II complexes with patellamide model ligands', DALTON TRANSACTIONS, 43 3144-3152 (2014) [C1]
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Nova |
2014 |
Beyad Y, Puxty G, Wei S, Yang N, Xu D, Maeder M, et al., 'An SO
The presence of SO2 in flue gas has a negative impact on typical CO2 capture processes utilising aqueous amines. For countries like Australia, that do not have flue gas desulphuri... [more]
The presence of SO2 in flue gas has a negative impact on typical CO2 capture processes utilising aqueous amines. For countries like Australia, that do not have flue gas desulphurisation, retrofitting such equipment to existing coal fired power stations is of the order of 100s of millions of dollars. In this work a new process configuration is described in which SO2 is absorbed into a fraction of the absorbent used for CO2 capture. SO2 absorption is carried out in the bottom of the absorber column into a bleed stream from the bulk solvent, and a recycle flow allows the absorbent to be near saturation in SO2. This high concentration allows a number of low cost options for sulphur removal from the absorbent such as chemical treatment and precipitation, with predicted capital and operating costs in the range of 100s of thousands for a full scale plant. The principles underlying the concept, specifically kinetic selectivity of SO2 absorption over CO2 and reactivity with amines, have been studied in the laboratory. Also a rate based model of an absorber column has been used to model the behaviour of SO2 from the application of the process concept to CSIRO's CO2 capture pilot plant at Loy Yang power station. The laboratory and modelling results support both its feasibility and utility.
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Nova |
2014 |
Yang N, Xu DY, Yu H, Conway W, Maeder M, Feron P, 'Potassium sarcosinate promoted aqueous ammonia solution for post-combustion capture of CO2', GREENHOUSE GASES-SCIENCE AND TECHNOLOGY, 4 555-567 (2014) [C1]
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Nova |
2014 |
Phan DT, Maeder M, Burns RC, Puxty G, 'Catalysis of CO2 absorption in aqueous solution by inorganic oxoanions and their application to post combustion capture.', Environ Sci Technol, 48 4623-4629 (2014) [C1]
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Nova |
2013 |
Golshan A, Maeder M, Abdollahi H, 'Determination and visualization of rotational ambiguity in four-component systems', ANALYTICA CHIMICA ACTA, 796 20-26 (2013) [C1]
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Nova |
2013 |
Beyad Y, Maeder M, 'Multivariate linear regression with missing values', ANALYTICA CHIMICA ACTA, 796 38-41 (2013) [C1]
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Nova |
2013 |
Conway W, Wang X, Fernandes D, Burns R, Lawrance G, Puxty G, Maeder M, 'Toward the Understanding of Chemical Absorption Processes for Post-Combustion Capture of Carbon Dioxide: Electronic and Steric Considerations from the Kinetics of Reactions of CO2(aq) with Sterically hindered Amines', ENVIRONMENTAL SCIENCE & TECHNOLOGY, 47 1163-1169 (2013) [C1]
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Nova |
2013 |
Zhang G, Wang X, Conway W, Maeder M, Sun Q, Yu H, 'Kinetics of CO(aq), HCO with primary and secondary amines in aqueous solution', Huagong Xuebao/CIESC Journal, 64 2883-2890 (2013) [C1]
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Nova |
2013 |
de Juan A, Abdollahi H, Maeder M, Rajko R, Tauler R, 'Report on a meeting on rotational ambiguity in soft-modelling analyses', JOURNAL OF CHEMOMETRICS, 27 1-2 (2013) [C3]
|
|
|
2013 |
Golshan A, Beyad Y, Maeder M, 'Chemometrics and data fitting', JOURNAL OF CHEMOMETRICS, 27 260-261 (2013) [C3]
|
|
Nova |
2013 |
Xiang Q, Fang M, Maeder M, Yu H, 'Effect of Sarcosinate on the Absorption Kinetics of CO2 into Aqueous Ammonia Solution', INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 52 6382-6389 (2013) [C1]
|
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Nova |
2013 |
Conway W, Fernandes D, Beyad Y, Burns R, Lawrance G, Puxty G, Maeder M, 'Reactions of CO2 with Aqueous Piperazine Solutions: Formation and Decomposition of Mono- and Dicarbamic Acids/Carbamates of Piperazine at 25.0 degrees C', JOURNAL OF PHYSICAL CHEMISTRY A, 117 806-813 (2013) [C1]
|
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Nova |
2013 |
Puxty G, Maeder M, 'A simple chemical model to represent CO2-amine-H2O vapour-liquid-equilibria', INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL, 17 215-224 (2013) [C1]
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Nova |
2013 |
Beyad Y, Burns R, Puxty G, Maeder M, 'The Role of SO2 in the Chemistry of Amine-based CO2 Capture in PCC', Energy Procedia, 37 1262-1266 (2013) [C1]
|
|
Nova |
2012 |
Conway WO, Wang X, Fernandes D, Burns RC, Lawrance GA, Puxty G, Maeder M, 'Toward rational design of amine solutions for PCC applications: The kinetics of the reaction of CO 2(aq) with cyclic and secondary amines in aqueous solution', Environmental Science and Technology, 46 7422-7429 (2012) [C1]
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|
Nova |
2012 |
Fernandes D, Conway WO, Wang X, Burns RC, Lawrance GA, Maeder M, Puxty G, 'Protonation constants and thermodynamic properties of amines for post combustion capture of CO2', Journal of Chemical Thermodynamics, 51 97-102 (2012) [C1]
|
|
Nova |
2012 |
Fernandes D, Conway WO, Burns RC, Lawrance GA, Maeder M, Puxty G, 'Investigations of primary and secondary amine carbamate stability by 1H NMR spectroscopy for post combustion capture of carbon dioxide', Journal of Chemical Thermodynamics, 54 183-191 (2012) [C1]
|
|
Nova |
2012 |
Xiang Q, Fang M, Yu H, Maeder M, 'Kinetics of the reversible reaction of CO2(aq) and HCO 3- with sarcosine salt in aqueous solution', Journal of Physical Chemistry A, 116 10276-10284 (2012) [C1]
|
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Nova |
2011 |
McCann N, Phan DT, Fernandes D, Maeder M, 'A systematic investigation of carbamate stability constants by 1H NMR', International Journal of Greenhouse Gas Control, 5 396-400 (2011) [C1]
|
|
Nova |
2011 |
McCann N, Maeder M, Hasse H, 'Prediction of the overall enthalpy of CO2 absorption in aqueous amine systems from experimentally determined reaction enthalpies', Energy Procedia, 4 1542-1549 (2011) [C1]
|
|
Nova |
2011 |
Golshan A, Abdollahi H, Maeder M, 'The reduction of rotational ambiguity in soft-modeling by introducing hard models', Analytica Chimica Acta, 709 32-40 (2011) [C1]
|
|
Nova |
2011 |
Golshan A, Abdollahi H, Maeder M, 'Resolution of rotational ambiguity for three-component systems', Analytical Chemistry, 83 836-841 (2011) [C1]
|
|
|
2011 |
McCann N, Maeder M, Hasse H, 'A calorimetric study of carbamate formation', Journal of Chemical Thermodynamics, 43 664-669 (2011) [C1]
|
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Nova |
2011 |
Hakimi M, Maeder M, Lawrance GA, 'Synthesis, characterization, and crystal structure of a tricadmium complex of 3,4-diamino-5-methyl-1,2,4-triazole', Journal of Coordination Chemistry, 64 105-114 (2011) [C1]
|
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Nova |
2011 |
Tiwow V, Lawrance GA, Maeder M, Jensen P, 'Complexation of the N,N',O-donor ligand N-trans-(2'-hydroxycyclohexyl)-2-aminomethylpyridine', Journal of Coordination Chemistry, 64 3637-3651 (2011) [C1]
|
|
Nova |
2011 |
Wang X, Conway WO, Fernandes D, Lawrance GA, Burns RC, Puxty G, Maeder M, 'Kinetics of the reversible reaction of CO2(aq) with ammonia in aqueous solution', Journal of Physical Chemistry A, 115 6405-6412 (2011) [C1]
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Nova |
2011 |
Conway WO, Wang X, Fernandes D, Burns RC, Lawrance GA, Puxty G, Maeder M, 'Comprehensive kinetic and thermodynamic study of the reactions of CO(2)(aq) and HCO(3)(-) with monoethanolamine (MEA) in aqueous solution', Journal of Physical Chemistry A, 115 14340-14349 (2011) [C1]
|
|
Nova |
2010 |
Clifford SE, Lawrance GA, Neuhold Y-M, Maeder M, 'Conjoint analysis of kinetic and equilibrium data for mechanistic elucidation in polynuclear complexation reactions, exemplified by metal(II) helicate complex formation', Australian Journal of Chemistry, 63 141-144 (2010) [C1]
|
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Nova |
2010 |
Luo S-X, Tiwow VMA, Maeder M, Lawrance GA, 'Synthesis and metal(II) ion complexation of pyridine-2, 6-diamides incorporating amino alcohols', Journal of Coordination Chemistry, 63 2400-2418 (2010) [C1]
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Nova |
2010 |
Wang X, Conway WO, Burns RC, McCann N, Maeder M, 'Comprehensive study of the hydration and dehydration reactions of carbon dioxide in aqueous solution', Journal of Physical Chemistry A, 114 1734-1740 (2010) [C1]
|
|
Nova |
2009 |
Belova IV, Murch GE, Oechsner A, 'Preface', JOURNAL OF NANO RESEARCH, 7 III-III (2009) [C3]
|
|
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2009 |
McCann N, Phan DT, Attalla M, Puxty G, Fernandes D, Conway WO, et al., 'Molecular interactions between amine and carbonate species in aqueous solution: Kinetics and thermodynamics', Energy Procedia, 1 995-1002 (2009) [C1]
|
|
Nova |
2009 |
de Juan A, Maeder M, Hancewicz T, Duponchel L, Tauler R, 'Chemometric Tools for Image Analysis 65-109 (2009)
|
|
|
2009 |
McCann N, Maeder M, 'Tutorial: The modelling of chemical processes', Analytica Chimica Acta, 647 31-39 (2009) [C2]
|
|
Nova |
2009 |
Abdollahi H, Maeder M, Tauler R, 'Calculation and meaning of feasible band boundaries in multivariate curve resolution of a two-component system', Analytical Chemistry, 81 2115-2122 (2009) [C1]
|
|
Nova |
2009 |
Clifford SE, Tiwow VMA, Gendron A, Maeder M, Rossignoli M, Lawrance GA, et al., 'Complexation of constrained ligands piperazine, N-substituted piperazines, and thiomorpholine', Australian Journal of Chemistry, 62 1196-1206 (2009) [C1]
|
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Nova |
2009 |
Puxty G, Rowland R, Allport A, Yang Q, Bown M, Burns RC, et al., 'Carbon dioxide postcombustion capture: A novel screening study of the carbon dioxide absorption performance of 76 amines', Environmental Science & Technology, 43 6427-6433 (2009) [C1]
|
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Nova |
2009 |
Napitupulu M, Griggs BL, Luo S-X, Turner P, Maeder M, Lawrance GA, 'Symmetrical diamides based on 2,6-bis(methoxycarbonyl)pyridine: Syntheses and metal Ion binding studies', Journal of Heterocyclic Chemistry, 46 243-250 (2009) [C1]
|
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Nova |
2009 |
Thurler TS, Da Souza RGS, Maeder M, Clifford SE, Brinn IM, 'Can factor analysis be applied to spectra taken in binary solvent mixtures?', Journal of the Brazilian Chemical Society, 20 1617-1624 (2009) [C1]
|
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Nova |
2009 |
McCann N, Phan DT, Wang X, Conway WO, Burns RC, Attalla M, et al., 'Kinetics and mechanism of carbamate formation from CO2(aq), carbonate species, and monoethanolamine in aqueous solution', Journal of Physical Chemistry A, 113 5022-5029 (2009) [C1]
|
|
Nova |
2008 |
Vosough M, Maeder M, Jalali-Heravi M, Clifford SE, 'Model-based analysis for kinetic complexation study of Pizda and Cu(II)', Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 70 674-681 (2008) [C1]
|
|
Nova |
2008 |
Maeder M, Abdollahi H, 'The investigation of equilibria in solution', Journal of the Iranian Chemical Society, 5 522-534 (2008) [C1]
|
|
Nova |
2008 |
De Juan A, Maeder M, Hancewicz T, Tauler R, 'Use of local rank-based spatial information for resolution of spectroscopic images', Journal of Chemometrics, 22 291-298 (2008) [C1]
|
|
Nova |
2008 |
McCann N, Maeder M, Attalla M, 'Simulation of enthalpy and capacity of CO2 absorption by aqueous amine systems', Industrial & Engineering Chemistry Research, 47 2002-2009 (2008) [C1]
|
|
Nova |
2007 |
Napitupulu M, Rossignoli M, Lawrance GA, Maeder M, Turner P, 'Cyclic polyamines via a molybdenum(0) templated Mannich-type reaction', Transition Metal Chemistry, 32 287-291 (2007) [C1]
|
|
Nova |
2007 |
McCann N, Lawrance GA, Neuhold Y-M, Maeder M, 'Complexation kinetics of copper(II) and nickel(II) with macrocycles: Identification of an outer-sphere chelate effect', Inorganic Chemistry, 46 4002-4009 (2007) [C1]
|
|
Nova |
2007 |
Griggs BL, Lawrance GA, Maeder M, Robertson MJ, Turner P, 'Aminoalcohols incorporating piperazine ring: Synthesis, complexation of a hexadentate ligand and DNA cleavage capability of copper(II) complexes', Inorganica Chimica Acta, 360 2403-2410 (2007) [C1]
|
|
Nova |
2007 |
Ghasemi J, Niazi A, Maeder M, 'Spectrophotometric studies on the protonation and nickel complexation equilibria of 4-(2-pyridylazo) resorcinol using global analysis in aqueous solution', Journal of the Brazilian Chemical Society, 18 267-272 (2007) [C1]
|
|
Nova |
2007 |
Gianoli SI, Puxty G, Fisher U, Maeder M, Hungerbuhler K, 'Empirical kinetic modeling of on line simultaneous infrared and calorimetric measurement using a Pareto optimal approach and multi-objective genetic algorithm', Chemometrics and Intelligent Laboratory Systems, 85 47-62 (2007) [C1]
|
|
Nova |
2006 |
Puxty G, Maeder M, Hungerbuhler K, 'Tutorial on the fitting of kinetics models to multivariate spectroscopic measurements with non-linear least-squares regression', Chemometrics and Intelligent Laboratory Systems, 81 149-164 (2006) [C1]
|
|
Nova |
2006 |
Maeder M, Neuhold Y-M, Puxty GD, Gemperline P, 'Advances in the modelling and analysis of complex and industrial processes', Chemometrics and Intelligent Laboratory Systems, 82 75-82 (2006) [C1]
|
|
|
2006 |
Vosough M, Mason CJ, Tauler R, Jelali-Heravi M, Maeder M, 'On Rotational ambiguity on model-free analyses of multivariate data', Journal of Chemometrics, 20 302-310 (2006) [C1]
|
|
|
2006 |
McCann N, De Iuliis GN, Lawrance GA, Maeder M, Schrader K, Moore P, 'Mono- and dinuclear copper(II) complexes of pendant-arm macrocyclic polyamines: Synthesis, characterization and investigation as hydrolytic cleavage agents for DNA', Inorganic Reaction Mechanisms, 6 91-112 (2006) [C1]
|
|
Nova |
2006 |
Clifford SE, Maeder M, 'Model-based analysis for kinetic and equilibrium investigations', Critical Reviews in Analytical Chemistry, 36 199-209 (2006) [C1]
|
|
Nova |
2005 |
Puxty G, Maeder M, Radack KP, Gemperline PJ, 'Equilibrium modeling of mixtures of methanol and water', Applied Spectroscopy, 59 329-334 (2005) [C1]
|
|
|
2005 |
Rodopoulos T, Ishihara K, Rodopoulos M, Zaworotko M, Maeder M, McAuley A, 'Synthesis and reactivity of the macrobicyclic complexes (1,5,8,12-tetraaza-17-oxabicyclo[10.5.2]nonadecane)cobalt(III) perchlorate ([Co(L-1)(ClO4)](ClO4)(2)), [(chloro(1,4,8,11-tetraaza-17-oxabicyclo[9.5.3]nonadecane)cobalt(III) perchlorate ([Co(L-2)(Cl)](ClO4)(2)), (4,8-dimethyl-1,4,8,11-tetraaza-17-oxabicyclo[9.5.3]nonadecane)cobalt(III) perchlorate ([Co(L-3)(ClO4)](ClO4)(2)), and (5,8-dimethyl-', CANADIAN JOURNAL OF CHEMISTRY, 83 894-902 (2005)
|
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2005 |
Rodopoulos T, Ishihara K, Rodopoulos M, Zaworotko M, Maeder M, McAuley A, 'Synthesis and reactivity of the macrobicyclic complexes (1,5,8,12-tetraaza-17-oxabicyclo 10.5.2 nonadecane)cobalt(III) perchlorate ( Co(L-1)(ClO4) (ClO4)(2)), (chloro(1,4,8,11-tetraaza-17-oxabicyclo 9.5.3 nonadecane)cobalt(III) perchlorate ( Co(L-2)(Cl) (ClO4)(2)), (4,8-dimethyl-1,4,8,11-tetraaza-17-oxabicyclo 9.5.3 nonadecane)cobalt(II I) perchlorate ( Co(L-3)(ClO4) (ClO4)(2)), and (5,8-dimethyl-', Canadian Journal of Chemistry-Revue Canadienne De Chimie, 83 894-902 (2005) [C1]
|
|
|
2005 |
Lawrance GA, Maeder M, Napitupulu M, Nolan AL, Rossignoli M, Tiwow VMA, Turner P, 'Palladium(II) as a versatile template for the formation of tetraaza macrocycles via Mannich-type reactions', Inorganica Chimica Acta, 358 3227-3235 (2005) [C1]
|
|
Nova |
2005 |
De Juan A, Maeder M, Hancewicz T, Tauler R, 'Local rank analysis for exploratory spectroscopic image analysis. Fixed Size Image Window-Evolving Factor Analysis', Chemometrics and Intelligent Laboratory Systems, 77 64-74 (2005) [C1]
|
|
Nova |
2005 |
Puxty G, Maeder M, Rhinehart RR, Alam S, Moore S, Gemperline PJ, 'Modelling of batch reactions with in situ spectroscopic measurements and calorimetry', Journal of Chemometrics, 19 329-340 (2005) [C1]
|
|
Nova |
2005 |
Okano LT, Tedesco AC, Touso AT, Oliveira DR, Maeder M, Brinn IM, 'Abstracting reliable parameters from time-correlated single photon counting experiments: I. A consideration of how many photons need to be collected and a simple pileup error correction for poly-exponential decay profiles without convolution of the lamp profile', Journal of Photochemistry and Photobiology A: Chemistry, 175 221-225 (2005) [C1]
|
|
|
2004 |
Gemperline P, Puxty GD, Maeder M, Walker D, Tarczynski F, Bosserman M, 'Calibration-Free Estimates of Batch Process Yields and Detection of Process Upsets Using in Situ Spectroscopic Measurements and Nonisothermal Kinetic Models: 4-(Dimethylamino) pyridine-Catalyzed Esterification of Butanol', Analytical Chemistry, 76 2575-2582 (2004) [C1]
|
|
Nova |
2004 |
Robertson MJ, Lawrance GA, Maeder M, Turner P, 'Octahedral Complexes of a Mixed N,N,O-Donor Ligand N-trans-(2?-hydroxycyclohexyl)-2-aminomethylpyridine', Australian Journal of Chemistry, 57 483-490 (2004) [C1]
|
|
Nova |
2004 |
Robertson MJ, De Iuliis GN, Maeder M, Lawrance GA, 'Metal-directed synthesis of a chiral acyclic pentaamine and pendant-arm macrocyclic hexaamine derived from an amino acid', Inorganica Chimica Acta, 357 557-570 (2004) [C1]
|
|
|
2004 |
De Juan A, Tauler R, Dyson R, Marcolli C, Rault M, Maeder M, 'Spectroscopic imaging and chemometrics: a powerful combination for global and local sample analysis', Trends in Analytical Chemistry, 23 70-79 (2004) [C1]
|
|
Nova |
2004 |
Maeder M, Neuhold Y-M, Puxty GD, 'Application of a genetic algorithm: near optimal estimation of the rate and equilibrium constants of complex reaction mechanisms', Chemometrics and Intelligent Laboratory Systems, 70 193-203 (2004) [C1]
|
|
Nova |
2004 |
Lawrance GA, Maeder M, Robertson MJ, Sutrisno, 'Synthesis of a four-strand N202-donor ligand and its transition metal complexation probed by electrospray ionisation mass spectrometry', Transitional Metal Chemistry, 29 505-510 (2004) [C1]
|
|
Nova |
2003 |
Maeder M, Neuhold Y-M, Puxty GD, King P, 'Analysis of reactions in aqueous solution at non-constant pH: no more buffers?', Physical Chemistry Chemical Physics, 2836-2841 (2003) [C1]
|
|
Nova |
2003 |
Comba P, De Iuliis GN, Lawrance GA, Luther S, Maeder M, Nolan AL, et al., 'Geometrical isomerism in octahedral complexes arising from the presence of a fused ring on a triaza macrocycle', Dalton Transactions, 2188-2193 (2003) [C1]
|
|
|
2003 |
Dyson RM, Maeder M, Neuhold Y-M, Puxty GD, 'Analyses of three-way data from equilibrium and kinetic investigations', Analytica Chimica Acta, 99-108 (2003) [C1]
|
|
Nova |
2003 |
Diewok J, De Juan A, Maeder M, Tauler T, Lendl B, 'Application of a Combination of Hard and Soft Modeling for Equilibrium Systems to the Quantitiative Analysis of pH-Modulated Mixture Samples', Analytical Chemistry, 641-647 (2003) [C1]
|
|
Nova |
2003 |
Bernhardt P, Hambley T, Lawrance GA, Maeder M, Wilkes EN, 'Isomers of 1,4,8, 11-tetraazacyclotetradecane-6, 13-dicarboxylate characterized as cobalt(lll) complexes', Australian Journal of Chemistry, 56 679-684 (2003) [C1]
|
|
Nova |
2003 |
Baran Y, Bayada A, Lawrance GA, Lye PG, Maeder M, Wilkes EN, 'Comparative stability constants for metal ions with tetraazamacrocycles of various ring sizes carrying a single amine or carboxylate pendant group', Transition Metal Chemistry, 460-463 (2003) [C1]
|
|
|
2003 |
Lawrance GA, Maeder M, Robertson MJ, 'A macrocycle with two cyclohexane rings fused to a 1,4-diaza-7-oxa-cyclononane core', Heterocyclic Communication, 9 19-22 (2003) [C1]
|
|
|
2003 |
Dyson RM, Maeder M, Puxty GD, Neuhold Y-M, 'Simulation of Complex Chemical Kinetics', Inorganic Reaction Mechanisms, 5 39-46 (2003) [C1]
|
|
Nova |
2002 |
Neuhold Y-M, Maeder M, 'Hard-modelled trilinear decomposition (HTD) for an enhanced kinetic multicomponent analysis', Journal of Chemometrics, 16 218-227 (2002) [C1]
|
|
Nova |
2002 |
Carvalho C, Silva A, Brinn I, Pinto A, Pinto M, Lin S, et al., 'Excited state acidity of bifunctional compounds', Physical Chemistry Chemical Physics, 4 3383-3389 (2002) [C1]
|
|
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2002 |
Lawrance GA, Maeder M, Neuhold Y-M, Szacilowski K, Barbieri A, Stasicka Z, 'An electrospray ionization mass spectrometry study of the nitroprusside-cation-thiolate system', Dalton Transactions, -- 3649-3655 (2002) [C1]
|
|
|
2002 |
Maeder M, Neuhold Y-M, Olsen AH, Puxty GD, Dyson R, Zilian A, 'Rank annihilation correction for the amendment of instrumental inconsistencies', Analytica Chimica Acta, 464 249-259 (2002) [C1]
|
|
Nova |
2002 |
Wei G, Hambley T, Lawrance GA, Maeder M, 'Synthesis and complexation of a chiral sexidentate pendant-arm macropolycyclic polyamino acid', Australian Journal of Chemistry, 55 667-673 (2002) [C1]
|
|
Nova |
2001 |
De Juan A, Maeder M, Martinez M, Tauler R, 'Application of a novel resolution approach combining soft- and hard-modelling features to investigate temperature-dependent kinetic processes', Analytica Chimica Acta, 442 337-350 (2001) [C1]
|
|
|
2001 |
Mason CJ, Maeder M, Whitson AC, 'Resolving Factor Analysis', Analytical Chemistry, 73 1587-1594 (2001) [C1]
|
|
Nova |
2001 |
Harmer JR, Callcott TG, Maeder M, Smith BE, 'A rapid coal characterisation analysis by low-resolution NMR spectroscopy and partial least-squares regression', FUEL, 80 1341-1349 (2001) [C1]
|
|
Nova |
2001 |
Harmer JR, Callcott T, Maeder M, Smith BE, 'A novel approach for coal characterization by NMR spectroscopy: global analysis of proton T1 and T2 relaxations', Fuel, 80 417-425 (2001) [C1]
|
|
|
2001 |
Jandanklang P, Maeder M, Whitson AC, 'Target transform fitting: a new method for the non-linear fitting of multivariate data with separable parameters', Journal of Chemometrics, 15 511-522 (2001) [C1]
|
|
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2001 |
Whitson AC, Maeder M, 'Exhaustive evolving factor analysis (E-EFA)', Journal of Chemometrics, 15 475-484 (2001) [C1]
|
|
|
2001 |
Lye PG, Lawrance GA, Maeder M, 'Formation kinetics of pendant arm polyamine macrocycles with copper (II)', Journal of the Chemical Society-Dalton Transactions, 2001 2376-2382 (2001) [C1]
|
|
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2000 |
Wilkes LM, Hambley TW, Lawrance GA, Maeder M, 'Characterization of the minor cis isomer of a dipendant polyamino acid macrocycle as a dimeric nickel(II) complex', AUSTRALIAN JOURNAL OF CHEMISTRY, 53 517-521 (2000) [C1]
|
|
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2000 |
Bernhardt PV, Lawrance GA, Luther S, Maeder M, Rossignoli M, 'Metal-directed synthesis routes to a 16-membered tetraazamacrocycle with two pendant primary amine groups', INORGANICA CHIMICA ACTA, 306 1-5 (2000) [C1]
|
|
|
2000 |
De Juan A, Maeder M, Martinez M, Tauler R, 'Combining hard- and soft-modelling to solve kinetic problems', CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 54 123-141 (2000) [C1]
|
|
|
2000 |
Dyson RM, Hazenkamp M, Kaufmann K, Maeder M, Studer M, Zilian A, 'Modern tools for reactionmonitoring: hard and soft modelling of 'non-ideal', on-line acquired spectra', JOURNAL OF CHEMOMETRICS, 14 737-750 (2000) [C1]
|
|
|
2000 |
Bernhardt PV, Lawrance GA, Luther SM, Maeder M, Robertson MJ, Sutrisno, ''Tetol': a stereo-rigid four-strang motif for alkali and alkaline earth metal ion coordination', INORGANIC CHEMISTRY COMMUNICATIONS, 3 410-414 (2000) [C1]
|
|
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1999 |
Molloy KJ, Maeder M, Schumacher MM, 'Hard modelling of spectroscopic measurements. Applications in non-ideal industrial reaction systems', Chemometrics and Intelligent Laboratory Systems, 46 221-230 (1999) [C1]
|
|
|
1999 |
Dyson RM, Jandanklang P, Maeder M, Mason CJ, Whitson AC, 'New developments for the numerical analysis of spectrophotometric titrations', Polyhedron, 18 3227-3232 (1999) [C1]
|
|
|
1999 |
Dyson RM, Lawrance GA, Macke H, Maeder M, 'Stability investigations of medically relevant complexes by the simultaneous analysis of series of spectrophotometric titrations', Polyhedron, 18 3243-3251 (1999) [C1]
|
|
|
1999 |
Golding SW, Hambley TW, Lawrance GA, Luther SM, Maeder M, Turner P, 'Synthesis and some octahedral complexes of a chiral triaza macrocycle', Journal of the Chemical Society-Dalton Transactions, -- 1975-1980 (1999) [C1]
|
|
|
1999 |
Lye PG, Lawrance GA, Maeder M, 'Complexation of pendant arm macrocycles with Cu(II) hydroxo complexes in strongly alkaline solutions. investigationof pH dependences', Inorganic Reaction Mechanisms, 1 153-159 (1999) [C1]
|
|
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1998 |
Dahal MP, Lawrance GA, Maeder M, 'Kinetics of heavy metal ion adsorption onto and proton release from electrolytic manganese dioxide', Adsorption Science & Technology, 16 39-50 (1998) [C1]
|
|
|
1997 |
Maeder M, Molloy KJ, Schumacher MM, 'Analysis of non-isothermal kinetic measurements', ANALYTICA CHIMICA ACTA, 337 73-81 (1997)
|
|
|
1997 |
Dyson RM, Kaderli S, Lawrance GA, Maeder M, Zunderbuhler AD, 'Second order global analysis: the evaluation of series of spectrophotometric titrations for improved determination of equilibrium constants', ANALYTICA CHIMICA ACTA, 353 381-393 (1997)
|
|
|
1997 |
Rossignoli M, Hambley TW, Lawrance GA, Maeder M, 'A saturated heterocycle formed from ethane-1,2-diamine, formaldehyde and nitroethane: Crystal structure of 6-methyl-6-nitro-1,4-bis(2'-nitropropan-1'-yl)-1,4-diazacycloheptane', AUSTRALIAN JOURNAL OF CHEMISTRY, 50 241-245 (1997)
|
|
|
1997 |
Rossignoli M, Bernhardt PV, Lawrance GA, Maeder M, 'Macrocycle formation through carbon acid-formaldehyde condensation reactions of bis(propane-1,2-diamine)- and bis (2-methylpropane-1,2-diamine)-copper(II) ions', AUSTRALIAN JOURNAL OF CHEMISTRY, 50 529-534 (1997)
|
|
|
1997 |
Bayada A, Lawrance GA, Maeder M, 'Outer-sphere complex formation and catalysis of adenosine 5'-triphosphate hydrolysis with polyammonium cations: Kinetics employing an attenuated total reflectance infrared method', INORGANICA CHIMICA ACTA, 254 353-359 (1997)
|
|
|
1997 |
Wei G, Allen CC, Hambley TW, Lawrance GA, Maeder M, 'Hydrogenolysis of a pendant alcohol dithiadiazamacrocycle. Crystal structure of the 6-amino-6-methyl-1,11-dithia-4,8-diazacyclotetradecane hydrogenolysis product as a chlorocobalt(III) complex', INORGANICA CHIMICA ACTA, 261 197-200 (1997)
|
|
|
1997 |
Dahal MP, Lawrance GA, Maeder M, 'Variation in the adsorption of lead(II) by a range of electrolytic manganese dioxides: Chemometric examination of correlation with physical properties', ADSORPTION SCIENCE & TECHNOLOGY, 15 583-592 (1997)
|
|
|
1997 |
Rossignoli M, Bernhardt PV, Lawrance GA, Maeder M, 'Gold(III) template synthesis of a pendant-arm macrocycle', JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 323-327 (1997)
|
|
|
1996 |
Rossignoli M, Lawrance GA, Maeder M, Hockless DCR, Skelton BW, White AH, 'The influence of alkyl substituents on carbon acid formaldehyde condensation reactions of bis(alkane-1,2-diamine)copper(II) ions', AUSTRALIAN JOURNAL OF CHEMISTRY, 49 1307-1314 (1996)
|
|
|
1996 |
Rossignoli M, Allen CC, Hambley TW, Lawrance GA, Maeder M, '''Swollen'' macrocycles: Palladium(II)-directed template syntheses of pendant-arm 14-, 16-, and 18-membered macrocycles', INORGANIC CHEMISTRY, 35 4961-4966 (1996)
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1996 |
Hambley TW, Lawrance GA, Maeder M, Wilkes EN, 'Nickel(II) complexes of 15-membered tetraaza macrocycles with a primary amine or carboxylate pendant: Structural characterization of a one-dimensional chain compound', INORGANICA CHIMICA ACTA, 246 65-71 (1996)
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1996 |
Wei G, Maeder M, Lawrance GA, 'Isolation of and metal ion selection by geometric isomers of a pendant-arm macrotricyclic hexaamine', POLYHEDRON, 15 3157-3162 (1996)
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1995 |
Nolan AL, Lawrence GA, Maeder M, 'Phosphorus speciation in the Williams River, New South Wales: Eutrophication and a chemometric analysis of relationships with other water quality parameters', MARINE AND FRESHWATER RESEARCH, 46 1055-1064 (1995)
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1995 |
Bayada A, Lawrance GA, Maeder M, Molloy KJ, 'ATR-IR spectroscopy for the investigation of solution reaction kinetics: Hydrolysis of trimethyl phosphate', APPLIED SPECTROSCOPY, 49 1789-1792 (1995)
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1995 |
WEI G, ALLEN CC, HAMBLEY TW, LAWRANCE GA, MAEDER M, 'METAL-DIRECTED SYNTHESIS OF DITHIA DIAZA MACROCYCLES CARRYING PENDANT ALCOHOL AND ALSO NITRO OR CARBOXYLATE GROUPS', AUSTRALIAN JOURNAL OF CHEMISTRY, 48 825-833 (1995)
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1995 |
WEI G, ALLEN CC, HAMBLEY TW, LAWRANCE GA, MAEDER M, 'METAL-DIRECTED SYNTHESES OF DITHIADIAZACYCLOTETRADECANE MACROCYCLES WITH PENDANT ALCOHOL AND NITRO OR CARBOXYLATE GROUPS INVOLVING MACROCYCLE RING EXPANSION', JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 2541-2547 (1995)
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1994 |
BUGNON P, CHOTTARD JC, JESTIN JL, JUNG B, LAURENCZY G, MAEDER M, et al., '2ND-ORDER GLOBALIZATION FOR THE DETERMINATION OF ACTIVATION PARAMETERS IN KINETICS', ANALYTICA CHIMICA ACTA, 298 193-201 (1994)
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1994 |
BAYADA A, LAWRANCE GA, MAEDER M, 'DIAMMONIUM SALTS DERIVED FROM 1,4-DIAZABICYCLO[2.2.2]OCTANE', AUSTRALIAN JOURNAL OF CHEMISTRY, 47 7-13 (1994)
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1994 |
HAMBLEY TW, LAWRANCE GA, MAEDER M, MOLLOY KJ, ROSSIGNOLI M, 'COORDINATION OF 5-METHYL-3,7-DIAZANONANE-1,5,9-TRIAMINE (L) TO RHODIUM(III) - CRYSTAL-STRUCTURE OF FAC-[RH(H2L)CL3] CL(CLO4).3H2O', AUSTRALIAN JOURNAL OF CHEMISTRY, 47 829-836 (1994)
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1994 |
BERNHARDT PV, COMBA P, ELLIOTT BL, LAWRANCE GA, MAEDER M, OLEARY MA, et al., 'METAL-DIRECTED SYNTHESIS OF MACROCYCLIC TETRAAMINES WITH PENDANT NITRO OR AMINE GROUPS, BASED ON TRANS-CYCLOHEXANE-1,2-DIAMINE', AUSTRALIAN JOURNAL OF CHEMISTRY, 47 1171-1178 (1994)
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1994 |
MAEDER M, MACKE HR, 'MOLECULAR-OXYGEN, SUPEROXIDE, AND PEROXIDE AS LIGANDS IN A CON5 COMPLEX', INORGANIC CHEMISTRY, 33 3135-3140 (1994)
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1994 |
BAYADA A, LAWRANCE GA, MAEDER M, MARTINEZ M, SKELTON BW, WHITE AH, 'OUTER-SPHERE COORDINATION OF POLYCYANOMETALLATE ANIONS WITH POLYAMMONIUM MACROCYCLES - A SPECTROPHOTOMETRIC STUDY', INORGANICA CHIMICA ACTA, 227 71-77 (1994)
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1994 |
HAMBLEY TW, LAWRANCE GA, MAEDER M, WEI G, 'CHLOROMETAL(III) COMPLEXES OF A NEW CHIRAL QUINQUEDENTATE POLYAMINO ACID-BASED ON (SS)-TRANS-CYCLOHEXANE-1,2-DIAMINE', JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 355-359 (1994)
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1994 |
LYE PG, LAWRANCE GA, MAEDER M, SKELTON BW, WEN H, WHITE AH, 'SELECTION OF METAL-IONS BY GEOMETRIC ISOMERS OF A POLYAMINE MACROCYCLE WITH PENDANT DONORS', JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 793-798 (1994)
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1994 |
BAYADA A, LAWRANCE GA, MAEDER M, OLEARY MA, 'METAL-DIRECTED SYNTHESIS OF AMINOBENZYL POLYAZA MACROCYCLES - CANDIDATES FOR ATTACHMENT TO POLYMERS AND BIOMOLECULES', JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 3107-3111 (1994)
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1994 |
Bayada A, Lawrance GA, Maeder M, 'A spectrophotometric method for the quantification of outer-sphere coordination: A bicyclic ammonium cation with the hexacyanocobaltate(III) anion', Supramolecular Chemistry, 3 261-266 (1994)
The outer-sphere interaction between the Co(CN)|¿anion with the two protonated forms of DABCO (l,4-diazabicydo[2.2.2]octane) was investigated by a spectrophotometric titration met... [more]
The outer-sphere interaction between the Co(CN)|¿anion with the two protonated forms of DABCO (l,4-diazabicydo[2.2.2]octane) was investigated by a spectrophotometric titration method. The resulting outer-sphere stability constant for the diprotonated DABCOH|+ cation was determined as log Kos = 2.53 ± 0.01, compared to the value of 2.77 ± 0.12 obtained using conventional potentiometric titration results. Absorption changes were very small; however, good reproducible results were obtained for the higher charged diprotonated cation interaction and the method may have general application.© 1994 Gordon and Breach Science Publishers SA
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1993 |
Lawrance GA, Maeder M, Wilkes EN, 'Metal-Directed Macrocyclization Reactions Involving Formaldehyde, Amines and Mono- Or Bi-Functional Methylene Compounds', Reviews in Inorganic Chemistry, 13 199-232 (1993)
Reactions of transition metal complexes of ligands with predominantly amine donors with formaldehyde alone, or with formaldehyde and additional reagents (ammonia, primary amines, ... [more]
Reactions of transition metal complexes of ligands with predominantly amine donors with formaldehyde alone, or with formaldehyde and additional reagents (ammonia, primary amines, and mono- or Afunctional methylene compounds) are of ten facile, and lead to new acyclic and macrocyclic molecules. Formaldehyde reacts with coordinated amines to form an imine (or aminol) which is susceptible to further nucleophilic attack by a suitably disposed group of the precursor complex or by an additional external reagent. Condensation involving two formaldehyde molecules, two cis-disposed coordinated primary amines and ammonia, an additional primary amine or a carbon acid with at least two acidic protons can generate a new six-membered chelate ring, of ten cariying additional pendant groups. These reactions are central to formation of the wide range of coordinated and largely saturated cyclic, macromonocyclic and macropolycyclic polyamine molecules reported herein. © 1993, Walter de Gruyter. All rights reserved.
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1993 |
DEARIE CM, DYSON RM, HAMBLEY TW, LAWRANCE GA, MAEDER M, TANNOCK GA, 'CRYSTAL-STRUCTURE OF A LUMINESCENT EUROPIUM(III) COMPLEX - PROBING THE ACTIVE SPECIES IN DISSOCIATION-ENHANCED LANTHANIDE FLUOROIMMUNOASSAY', AUSTRALIAN JOURNAL OF CHEMISTRY, 46 577-582 (1993)
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1993 |
ELLIOTT BL, HAMBLEY TW, LAWRANCE GA, MAEDER M, WEI G, 'CHLOROCOBALT(III) AND CHLOROCHROMIUM(III) COMPLEXES OF A NEW CHIRAL QUINQUEDENTATE POLYAMINE BASED ON RR-TRANS-CYCLOHEXANE-1,2-DIAMINE', JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1725-1730 (1993)
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1992 |
WILLIAMS RP, SWINKELS DAJ, MAEDER M, 'IDENTIFICATION AND APPLICATION OF A PROGNOSTIC VECTOR FOR USE IN MULTIVARIATE CALIBRATION AND PREDICTION', CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 15 185-193 (1992)
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1992 |
HAMBLEY TW, LAWRANCE GA, MAEDER M, WILKES EN, 'SYNTHESIS OF A NEW POTENTIALLY SEXIDENTATE PENDANT-ARM MACROCYCLIC POLYAMINO ACID AND COORDINATION TO COBALT(III)', JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1283-1289 (1992)
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1992 |
LAWRANCE GA, MANNING TM, MAEDER M, MARTINEZ M, OLEARY MA, PATALINGHUG WC, et al., 'QUINQUEDENTATE COORDINATION OF AMINO-SUBSTITUTED TETRAAZACYCLOALKANES TO COBALT(III) .1. COMPLEXES OF MACROCYCLES OF DIFFERING RING SIZE, AND CRYSTAL-STRUCTURES OF CIS ISOMERS', JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1635-1641 (1992)
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1991 |
LAWRANCE GA, MAEDER M, OLEARY MA, SKELTON BW, WHITE AH, 'MACROCYCLE FORMATION FROM COPPER(II)DIRECTED CONDENSATION OF LINEAR TETRAAMINES WITH FORMALDEHYDE ALONE AND WITH ADDED 2-AMINOETHANOL', AUSTRALIAN JOURNAL OF CHEMISTRY, 44 1227-1236 (1991)
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1991 |
HOLLINGSHED GK, LAWRANCE GA, MAEDER M, ROSSIGNOLI M, 'POLYAMINE COMPLEXATION .1. STABILITY-CONSTANTS FOR METAL-ION COMPLEXATION OF 5-(4'-AMINO-2'-AZABUTANE)-5-METHYL-3,7-DIAZANONANE-1,9-DIAMINE', POLYHEDRON, 10 409-413 (1991)
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1991 |
BERNHARDT PV, LAWRANCE GA, MAEDER M, ROSSIGNOLI M, HAMBLEY TW, 'SEXIDENTATE COORDINATION OF THE PENDANT-ARM MACROCYCLE 6,13-DIMETHYL-1,4,8,11-TETRAAZACYCLOTETRADECANE-6,13-DIAMINE (L1) TO ZINC(II) - CRYSTAL-STRUCTURE OF [ZNL1][CLO4]2.H2O', JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1167-1182 (1991)
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1990 |
MAEDER M, ZUBERBUHLER AD, 'NONLINEAR LEAST-SQUARES FITTING OF MULTIVARIATE ABSORPTION DATA', ANALYTICAL CHEMISTRY, 62 2220-2224 (1990)
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1990 |
BERNHARDT PV, COMBA P, CURTIS NF, HAMBLEY TW, LAWRANCE GA, MAEDER M, SIRIWARDENA A, 'COORDINATION OF THE PENDANT-ARM MACROCYCLE 6,13-DIAMINO-6,13-DIMETHYL-1,4,8,11-TETRAAZACYCLOTETRADECANE TO CHROMIUM(III) - CRYSTAL-STRUCTURE AND PHYSICAL-PROPERTIES OF THE HEXACOORDINATED COMPLEX ION', INORGANIC CHEMISTRY, 29 3208-3213 (1990)
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1990 |
WILLIAMS RP, SWINKELS DAJ, MAEDER M, 'PRINCIPAL COMPONENTS REGRESSION IN PRACTICE - AN EVALUATION OF EMD BATTERY ACTIVITY FROM X-RAY-DIFFRACTION PATTERNS', TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 9 303-308 (1990)
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1990 |
LAWRANCE GA, MAEDER M, OLEARY MA, WOON FH, 'MACROMONOCYCLE FORMATION FROM COPPER(II)-DIRECTED OR NICKEL(II)-DIRECTED CONDENSATION OF LINEAR TETRAAMINES AND FORMALDEHYDE WITH VARIOUS NITRO-CARBON ACIDS', POLYHEDRON, 9 2227-2231 (1990)
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1990 |
LAWRANCE GA, MAEDER M, MANNING TM, OLEARY MA, SKELTON BW, WHITE AH, 'SYNTHESIS AND CHARACTERIZATION OF DINICKEL(II) AND DIPALLADIUM(II) COMPLEXES OF THE MACROCYCLIC BINUCLEATING LIGAND 3,13-DIMETHYL-3,13-DINITRO-1,5,11,15-TETRA-AZACYCLOEICOSANE-8,18-DITHIOL (L5) - CRYSTAL-STRUCTURE OF THE COMPLEX [NI2(L5-2H)][NO2]2.3.5H2O', JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 2491-2495 (1990)
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1989 |
COMBA P, MAEDER M, ZIPPER L, 'ENERGY-MINIMIZED STRUCTURES AND CALCULATED AND EXPERIMENTAL ISOMER DISTRIBUTIONS IN THE HEXAAMINE-COBALT(III) SYSTEM [CO(L)2]3+ WITH THE CHIRAL FACIALLY-COORDINATING TRIAMINE (L = BUTANE-1,2,4-TRIAMINE)', HELVETICA CHIMICA ACTA, 72 1029-1037 (1989)
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1988 |
GAMPP H, MAEDER M, ZUBERBUHLER AD, 'RIGOROUS CONVERGENCE ALGORITHM FOR FITTING A MONOEXPONENTIAL FUNCTION WITH A BACKGROUND TERM USING THE LEAST-SQUARES METHOD - COMMENT', ANALYTICAL CHEMISTRY, 60 1083-1086 (1988)
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1988 |
MAEDER M, ZUBERBUHLER AD, 'MODERN MULTIVARIATE METHODS IN CHROMATOGRAPHY', FRESENIUS ZEITSCHRIFT FUR ANALYTISCHE CHEMIE, 330 289-290 (1988)
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1988 |
GAMPP H, MAEDER M, ZUBERBUHLER AD, 'COMPUTERIZED DATA ACQUISITION AND DATA REDUCTION IN SPECTROPHOTOMETRIC ANALYSIS OF METAL-ION COMPLEXES .1. GENERAL-CONSIDERATIONS AND DATA ACQUISITION', TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 7 111-113 (1988)
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1988 |
GAMPP H, MAEDER M, ZUBERBUHLER AD, 'COMPUTERIZED DATA ACQUISITION AND DATA REDUCTION IN SPECTROPHOTOMETRIC ANALYSIS .2. NUMERICAL-ANALYSIS WITH AND WITHOUT AN UNDERLYING CHEMICAL-MODEL', TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 7 147-150 (1988)
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1988 |
MAEDER M, ZILIAN A, 'EVOLVING FACTOR-ANALYSIS, A NEW MULTIVARIATE TECHNIQUE IN CHROMATOGRAPHY', CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 3 205-213 (1988)
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1987 |
Gampp H, Maeder M, Meyer CJ, Zuberbuehler AD, 'Evolving Factor Analysis', Comments on Inorganic Chemistry, 6 41-60 (1987)
Modern instrumentation allows the easy accumulation of high-quality bilinear data matrices. The new algorithm of Evolving Factor Analysis makes full use of all information contain... [more]
Modern instrumentation allows the easy accumulation of high-quality bilinear data matrices. The new algorithm of Evolving Factor Analysis makes full use of all information contained directly in the data. Essentially perfect deconvolution, yielding the concentrations and absorption spectra of all species, becomes possible on a completely model-free basis. © 1987, Taylor & Francis Group, LLC. All rights reserved.
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1987 |
GAMPP H, MAEDER M, MEYER CJ, ZUBERBUEHLER AD, 'QUANTIFICATION OF A KNOWN COMPONENT IN AN UNKNOWN MIXTURE', ANALYTICA CHIMICA ACTA, 193 287-293 (1987)
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1987 |
MAEDER M, 'EVOLVING FACTOR-ANALYSIS FOR THE RESOLUTION OF OVERLAPPING CHROMATOGRAPHIC PEAKS', ANALYTICAL CHEMISTRY, 59 527-530 (1987)
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1986 |
GAMPP H, MAEDER M, MEYER CJ, ZUBERBUHLER AD, 'CALCULATION OF EQUILIBRIUM-CONSTANTS FROM MULTIWAVELENGTH SPECTROSCOPIC DATA .4. MODEL-FREE LEAST-SQUARES REFINEMENT BY USE OF EVOLVING FACTOR-ANALYSIS', TALANTA, 33 943-951 (1986)
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1986 |
MAEDER M, ZUBERBUEHLER AD, 'THE RESOLUTION OF OVERLAPPING CHROMATOGRAPHIC PEAKS BY EVOLVING FACTOR-ANALYSIS', ANALYTICA CHIMICA ACTA, 181 287-291 (1986)
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1985 |
GAMPP H, MAEDER M, MEYER CJ, ZUBERBUHLER AD, 'CALCULATION OF EQUILIBRIUM-CONSTANTS FROM MULTIWAVELENGTH SPECTROSCOPIC DATA .1. MATHEMATICAL CONSIDERATIONS', TALANTA, 32 95-101 (1985)
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1985 |
GAMPP H, MAEDER M, MEYER CJ, ZUBERBUHLER AD, 'CALCULATION OF EQUILIBRIUM-CONSTANTS FROM MULTIWAVELENGTH SPECTROSCOPIC DATA .2. SPECFIT - 2 USER-FRIENDLY PROGRAMS IN BASIC AND STANDARD FORTRAN-77', TALANTA, 32 257-264 (1985)
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1985 |
GAMPP H, MAEDER M, MEYER CJ, ZUBERBUHLER AD, 'CALCULATION OF EQUILIBRIUM-CONSTANTS FROM MULTIWAVELENGTH SPECTROSCOPIC DATA .3. MODEL-FREE ANALYSIS OF SPECTROPHOTOMETRIC AND ELECTRON-SPIN-RESONANCE TITRATIONS', TALANTA, 32 1133-1139 (1985)
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1985 |
DUBICKI L, FERGUSON J, KRAUSZ ER, LAY PA, MAEDER M, MAGNUSON RH, TAUBE H, 'ABSORPTION AND MCD SPECTRAL STUDIES OF THE DECAAMMINE(MU-DINITROGEN-N',N')DIOSMIUM(5+) MIXED-VALENCE ION', JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 107 2167-2171 (1985)
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1985 |
GAMPP H, MAEDER M, MEYER CJ, ZUBERBUHLER AD, 'EVOLVING FACTOR-ANALYSIS OF SPECTROPHOTOMETRIC TITRATIONS - FORGET ABOUT THE LAW OF MASS-ACTION', CHIMIA, 39 315-317 (1985)
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1985 |
FERGUSON J, HERREN F, KRAUSZ ER, MAEDER M, VRBANCICH J, 'ELECTRONIC SPECTROSCOPY OF FEBPY32+, RUBPY32+, OSBPY32+, CRBPY33+ AND RELATED-COMPOUNDS', COORDINATION CHEMISTRY REVIEWS, 64 21-39 (1985)
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1985 |
FERGUSON J, KRAUSZ ER, MAEDER M, 'CHARGE LOCALIZATION IN THE LUMINESCENT STATES OF RU(BPY)3(2+) IN FLUID SOLUTIONS', JOURNAL OF PHYSICAL CHEMISTRY, 89 1852-1854 (1985)
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1984 |
DUBICKI L, FERGUSON J, KRAUSZ ER, LAY PA, MAEDER M, TAUBE H, 'ELECTRONIC ABSORPTION AND MCD SPECTRA OF MONONUCLEAR AND BINUCLEAR COMPLEXES OF OSMIUM(III) AMMINES WITH PI-BONDING AROMATIC LIGANDS - COMPLEXES WITH C2V AND D2H SYMMETRY', JOURNAL OF PHYSICAL CHEMISTRY, 88 3940-3941 (1984)
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1984 |
MAEDER M, FALLAB S, 'KINETIC MULTICOMPONENTANALYSIS', CHIMIA, 38 269-280 (1984)
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1984 |
GAMPP H, HASPRA D, MAEDER M, ZUBERBUEHLER AD, 'COPPER(II) COMPLEXES WITH LINEAR PENTADENTATE CHELATORS', INORGANIC CHEMISTRY, 23 3724-3730 (1984)
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1982 |
MAEDER M, MITCHELL PR, MACKE H, 'THE MECHANISM OF FORMATION OF CO(III) COMPLEXES BY OXYGENATION OF CO(II)', ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 183 60-INOR (1982) |
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1981 |
FALLAB S, HUNOLD HP, MAEDER M, MITCHELL PR, 'O-18 EXCHANGE OF MU-PEROXO-DICOBALT(III) COMPLEXES', JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 469-471 (1981)
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1980 |
MAEDER M, GAMPP H, 'SPECTROPHOTOMETRIC DATA REDUCTION BY EIGENVECTOR ANALYSIS FOR EQUILIBRIUM AND KINETIC-STUDIES AND A NEW METHOD OF FITTING EXPONENTIALS', ANALYTICA CHIMICA ACTA-COMPUTER TECHNIQUES AND OPTIMIZATION, 4 303-313 (1980)
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1980 |
GAMPP H, MAEDER M, ZUBERBUHLER AD, KADEN TA, 'MICROPROCESSOR-CONTROLLED SYSTEM FOR AUTOMATIC ACQUISITION OF POTENTIOMETRIC DATA AND THEIR NON-LINEAR LEAST-SQUARES FIT IN EQUILIBRIUM STUDIES', TALANTA, 27 513-518 (1980)
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1980 |
GAMPP H, MAEDER M, ZUBERBUHLER AD, 'GENERAL NON-LINEAR LEAST-SQUARES PROGRAM FOR THE NUMERICAL TREATMENT OF SPECTROPHOTOMETRIC DATA ON A SINGLE-PRECISION GAME COMPUTER', TALANTA, 27 1037-1045 (1980)
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