title: Analysing chromatographic data using data mining to monitor petroleum content in water

authors: Holmes, Geoffrey

subjects: computer science

abstract: Chromatography is an important analytical technique that has widespread use in environmental applications. A typical application is the monitoring of water samples to determine if they contain petroleum. These tests are mandated in many countries to enable environmental agencies to determine if tanks used to store petrol are leaking into local water systems.
Chromatographic techniques, typically using gas or liquid chromatography coupled with mass spectrometry, allow an analyst to detect a vast array of compounds—potentially in the order of thousands. Accurate analysis relies heavily on the skills of a limited pool of experienced analysts utilising semi-automatic techniques to analyse these datasets—making the outcomes subjective.
The focus of current laboratory data analysis systems has been on refinements of existing approaches. The work described here represents a paradigm shift achieved through applying data mining techniques to tackle the problem. These techniques are compelling because the efficacy of preprocessing methods, which are essential in this application area, can be objectively evaluated. This paper presents preliminary results using a data mining framework to predict the concentrations of petroleum compounds in water samples. Experiments demonstrate that the framework can be used to produce models of sufficient accuracy—measured in terms of root mean squared error and correlation coefficients—to offer the potential for significantly reducing the time spent by analysts on this task.

text: Analysing chromatographic data using data mining to monitor petroleum content in water Chromatography is an important analytical technique that has widespread use in environmental applications. A typical application is the monitoring of water samples to determine if they contain petroleum. These tests are mandated in many countries to enable environmental agencies to determine if tanks used to store petrol are leaking into local water systems.
Chromatographic techniques, typically using gas or liquid chromatography coupled with mass spectrometry, allow an analyst to detect a vast array of compounds—potentially in the order of thousands. Accurate analysis relies heavily on the skills of a limited pool of experienced analysts utilising semi-automatic techniques to analyse these datasets—making the outcomes subjective.
The focus of current laboratory data analysis systems has been on refinements of existing approaches. The work described here represents a paradigm shift achieved through applying data mining techniques to tackle the problem. These techniques are compelling because the efficacy of preprocessing methods, which are essential in this application area, can be objectively evaluated. This paper presents preliminary results using a data mining framework to predict the concentrations of petroleum compounds in water samples. Experiments demonstrate that the framework can be used to produce models of sufficient accuracy—measured in terms of root mean squared error and correlation coefficients—to offer the potential for significantly reducing the time spent by analysts on this task.

year: 2009

title: Cleavage of Ge–S and C–H bonds in the reaction of electron-deficient [Os₃(CO)₈(μ-H)(μ₃-Ph₂PCH₂P(Ph)C₆H₄)] with Ph₃GeSPh: Generation of thiophenol derivatives [Os₃(CO)₈(μ-H)(μ-SPh)(μ-dppm)] and [Os₃(CO)₇(μ-H)(μ-SPh)(μ₃-SC₆H₄)(μ-dppm)]

authors: Raha, Arun K.

subjects: triosmium clusters

abstract: Heating the electron-deficient [Os₃(CO)₈(μ-H)(μ₃-Ph₂PCH₂P(Ph)C₆H₄)] (1) and Ph₃GeSPh in benzene at 80 °C led to the thiolato bridged compounds, [Os₃(CO)₈(μ-H)(μ-SPh)(μ-dppm)] (2) and [Os₃(CO)₇(μ-H)(μ-SPh)(μ₃-SC₆H₄)(μ-dppm)] (3), formed by cleavage of Ge–S and C–S bonds of the ligand, in 40% and 17% yields, respectively. Both compounds 2 and 3 have been characterized by a combination of elemental analysis, infrared and ¹H NMR spectroscopic data together with single crystal X-ray crystallography. Compound 3 contains an open triangle of osmium atoms bridged by a SPh and SC₆H₄ ligands on opposite sides of the cluster with a dppm ligand bridging one of the Os–Os edges. Compound 2 consists of a closed triangular cluster of osmium atoms with a bridging SPh, and a bridging hydride ligand on the same Os–Os edge, and a dppm ligand bridging one of the remaining Os–Os edges.

text: Cleavage of Ge–S and C–H bonds in the reaction of electron-deficient [Os₃(CO)₈(μ-H)(μ₃-Ph₂PCH₂P(Ph)C₆H₄)] with Ph₃GeSPh: Generation of thiophenol derivatives [Os₃(CO)₈(μ-H)(μ-SPh)(μ-dppm)] and [Os₃(CO)₇(μ-H)(μ-SPh)(μ₃-SC₆H₄)(μ-dppm)] Heating the electron-deficient [Os₃(CO)₈(μ-H)(μ₃-Ph₂PCH₂P(Ph)C₆H₄)] (1) and Ph₃GeSPh in benzene at 80 °C led to the thiolato bridged compounds, [Os₃(CO)₈(μ-H)(μ-SPh)(μ-dppm)] (2) and [Os₃(CO)₇(μ-H)(μ-SPh)(μ₃-SC₆H₄)(μ-dppm)] (3), formed by cleavage of Ge–S and C–S bonds of the ligand, in 40% and 17% yields, respectively. Both compounds 2 and 3 have been characterized by a combination of elemental analysis, infrared and ¹H NMR spectroscopic data together with single crystal X-ray crystallography. Compound 3 contains an open triangle of osmium atoms bridged by a SPh and SC₆H₄ ligands on opposite sides of the cluster with a dppm ligand bridging one of the Os–Os edges. Compound 2 consists of a closed triangular cluster of osmium atoms with a bridging SPh, and a bridging hydride ligand on the same Os–Os edge, and a dppm ligand bridging one of the remaining Os–Os edges.

year: 2008

title: Weaving the realities and responsibilities: Crossing culture and concepts of healing within co-existing mental health and addictive disorders.

authors: McLachlan, Andre David

subjects: Maori

abstract: Within ‘Mainstream’ western and Kaupapa Māori services, competing priorities often mean that cultural and clinical services are not implemented in unison. Without this ‘unison’, treatment of Māori with co-existing mental health and addictive disorders may be ineffective. This paper reflects the journey of a small social service agency ‘Pai Ake Solutions Limited’ (PASL) in integrating western clinical approaches within tikanga Māori values. 
Pai Ake Solutions Limited (PASL) provides a range of group and individual services to whānau who are affected by mental illness and co-existing substance use problems. The initial development of the service was based on the whakaaro of providing ‘pai ake’ (better) services for whānau in the greater Waikato. These services were initially founded on the strong values of founders Mihaka Hohua and the late Ritchie Re Cribb, which were influenced by the practices and experiences of Ngati Kahangungu, Ngati Haua, and Waikato-Maniopoto. From an initial non-clinical service provision contract, PASL began receiving referrals from individuals and whānau whose needs were not being met by mainstream service providers. Encouraging outcomes and an internal agency review of clientele utilising the service, identified that those accessing PASL services were experiencing socially and clinically significant mental and physical health, addiction and psychosocial problems.

text: Weaving the realities and responsibilities: Crossing culture and concepts of healing within co-existing mental health and addictive disorders. Within ‘Mainstream’ western and Kaupapa Māori services, competing priorities often mean that cultural and clinical services are not implemented in unison. Without this ‘unison’, treatment of Māori with co-existing mental health and addictive disorders may be ineffective. This paper reflects the journey of a small social service agency ‘Pai Ake Solutions Limited’ (PASL) in integrating western clinical approaches within tikanga Māori values. 
Pai Ake Solutions Limited (PASL) provides a range of group and individual services to whānau who are affected by mental illness and co-existing substance use problems. The initial development of the service was based on the whakaaro of providing ‘pai ake’ (better) services for whānau in the greater Waikato. These services were initially founded on the strong values of founders Mihaka Hohua and the late Ritchie Re Cribb, which were influenced by the practices and experiences of Ngati Kahangungu, Ngati Haua, and Waikato-Maniopoto. From an initial non-clinical service provision contract, PASL began receiving referrals from individuals and whānau whose needs were not being met by mainstream service providers. Encouraging outcomes and an internal agency review of clientele utilising the service, identified that those accessing PASL services were experiencing socially and clinically significant mental and physical health, addiction and psychosocial problems.

year: 2008