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The f-elements and their compounds often possess an unusually complex electronic structure, governed by the high number of electronic states arising from open f-shells as well as large relativistic and electron correlation effects. A correct theoretical description of these elements poses the highest challenges to theory. Computational Methods in Lanthanide and Actinide Chemistry summarizes state-of-the-art electronic structure methods applicable for quantum chemical calculations of lanthanide and actinide systems and presents a broad overview of their most recent applications to atoms, molecules and solids. The book contains sixteen chapters, written by leading experts in method development as well as in theoretical investigations of f-element systems. Topics covered include: * Relativistic configuration interaction calculations for lanthanide and actinide anions * Study of actinides by relativistic coupled cluster methods * Relativistic all-electron approaches to the study of f- element chemistry * Relativistic pseudopotentials and their applications * Gaussian basis sets for lanthanide and actinide elements * Applied computational actinide chemistry This book will serve as a comprehensive reference work for quantum chemists and computational chemists, both those already working in, and those planning to enter the field of quantum chemistry for f-elements. Experimentalists will also find important information concerning the capabilities of modern quantum chemical methods to assist in the interpretation or even to predict the outcome of their experiments.
(source: Nielsen Book Data)
The f-elements and their compounds often possess an unusually complex electronic structure, governed by the high number of electronic states arising from open f-shells as well as large relativistic and electron correlation effects. A correct theoretical description of these elements poses the highest challenges to theory. Computational Methods in Lanthanide and Actinide Chemistry summarizes state-of-the-art electronic structure methods applicable for quantum chemical calculations of lanthanide and actinide systems and presents a broad overview of their most recent applications to atoms, molecules and solids. The book contains sixteen chapters, written by leading experts in method development as well as in theoretical investigations of f-element systems. Topics covered include: * Relativistic configuration interaction calculations for lanthanide and actinide anions * Study of actinides by relativistic coupled cluster methods * Relativistic all-electron approaches to the study of f- element chemistry * Relativistic pseudopotentials and their applications * Gaussian basis sets for lanthanide and actinide elements * Applied computational actinide chemistry This book will serve as a comprehensive reference work for quantum chemists and computational chemists, both those already working in, and those planning to enter the field of quantum chemistry for f-elements. Experimentalists will also find important information concerning the capabilities of modern quantum chemical methods to assist in the interpretation or even to predict the outcome of their experiments.
(source: Nielsen Book Data)
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  • Preface xiii About the Companion Website xv 1 Introduction 1 1.1 Medicinal inorganic chemistry 1 1.1.1 Why use metal-based drugs? 2 1.2 Basic inorganic principles 3 1.2.1 Electronic structures of atoms 3 1.2.2 Bonds 9 1.3 Exercises 17 References 18 Further Reading 18 2 Alkali Metals 19 2.1 Alkali metal ions 19 2.1.1 Extraction of alkali metals: an introduction to redox chemistry 20 2.1.2 Excursus: reduction oxidation reactions 21 2.1.3 Chemical behaviour of alkali metals 27 2.2 Advantages and disadvantages using lithium-based drugs 29 2.2.1 Isotopes of lithium and their medicinal application 29 2.2.2 Historical developments in lithium-based drugs 29 2.2.3 The biology of lithium and its medicinal application 30 2.2.4 Excursus: diagonal relationship and periodicity 31 2.2.5 What are the pharmacological targets of lithium? 33 2.2.6 Adverse effects and toxicity 34 2.3 Sodium: an essential ion in the human body 34 2.3.1 Osmosis 35 2.3.2 Active transport of sodium ions 37 2.3.3 Drugs, diet and toxicity 38 2.4 Potassium and its clinical application 40 2.4.1 Biological importance of potassium ions in the human body action potential 40 2.4.2 Excursus: the Nernst equation 40 2.4.3 Potassium salts and their clinical application: hypokalaemia 42 2.4.4 Adverse effects and toxicity: hyperkalaemia 43 2.5 Exercises 45 2.6 Case studies 47 2.6.1 Lithium carbonate (Li2CO3) tablets 47 2.6.2 Sodium chloride eye drops 47 References 48 Further Reading 48 3 Alkaline Earth Metals 49 3.1 Earth alkaline metal ions 49 3.1.1 Major uses and extraction 50 3.1.2 Chemical properties 51 3.2 Beryllium and chronic beryllium disease 52 3.3 Magnesium: competition to lithium? 53 3.3.1 Biological importance 53 3.3.2 Clinical applications and preparations 54 3.4 Calcium: the key to many human functions 55 3.4.1 Biological importance 56 3.4.2 How does dietary calcium intake influence our lives? 57 3.4.3 Calcium deficiency: osteoporosis, hypertension and weight management 57 3.4.4 Renal osteodystrophy 58 3.4.5 Kidney stones 59 3.4.6 Clinical application 59 3.4.7 Side effects 61 3.5 Barium: rat poison or radio-contrast agent? 61 3.6 Exercises 63 3.7 Case studies 65 3.7.1 Magnesium hydroxide suspension 65 3.7.2 Calcium carbonate tablets 65 References 66 Further Reading 66 4 The Boron Group Group 13 67 4.1 General chemistry of group 13 elements 67 4.1.1 Extraction 68 4.1.2 Chemical properties 69 4.2 Boron 70 4.2.1 Introduction 70 4.2.2 Pharmaceutical applications of boric acid 71 4.2.3 Bortezomib 71 4.3 Aluminium 71 4.3.1 Introduction 71 4.3.2 Biological importance 72 4.3.3 Al3+ and its use in water purification 73 4.3.4 Aluminium-based adjuvants 73 4.3.5 Antacids 74 4.3.6 Aluminium-based therapeutics alginate raft formulations 75 4.3.7 Phosphate binders 76 4.3.8 Antiperspirant 76 4.3.9 Potential aluminium toxicity 77 4.4 Gallium 77 4.4.1 Introduction 77 4.4.2 Chemistry 77 4.4.3 Pharmacology of gallium-based drugs 78 4.4.4 Gallium nitrate multivalent use 78 4.4.5 Gallium 8-quinolinolate 79 4.4.6 Gallium maltolate 79 4.4.7 Toxicity and administration 80 4.5 Exercises 81 4.6 Case studies 83 4.6.1 Boric acid API analysis 83 4.6.2 Aluminium hydroxide tablets 83 References 84 Further Reading 84 5 The Carbon Group 85 5.1 General chemistry of group 14 elements 85 5.1.1 Occurrence, extraction and use of group 14 elements 85 5.1.2 Oxidation states and ionisation energies 87 5.1.3 Typical compounds of group 14 elements 87 5.2 Silicon-based drugs versus carbon-based analogues 89 5.2.1 Introduction of silicon groups 90 5.2.2 Silicon isosters 91 5.2.3 Organosilicon drugs 93 5.3 Organogermanium compounds: balancing act between an anticancer drug and a herbal supplement 94 5.3.1 Germanium sesquioxide 95 5.3.2 Spirogermanium 97 5.4 Exercises 99 5.5 Cases studies 101 5.5.1 Simethicone 101 5.5.2 Germanium supplements 101 References 102 Further Reading 102 6 Group 15 Elements 103 6.1 Chemistry of group 15 elements 103 6.1.1 Occurrence and extraction 103 6.1.2 Physical properties 104 6.1.3 Oxidation states and ionisation energy 105 6.1.4 Chemical properties 106 6.2 Phosphorus 106 6.2.1 Adenosine phosphates: ATP, ADP and AMP 107 6.2.2 Phosphate in DNA 107 6.2.3 Clinical use of phosphate 108 6.2.4 Drug interactions and toxicity 112 6.3 Arsenic 112 6.3.1 Salvarsan: the magic bullet the start of chemotherapy 113 6.3.2 Arsenic trioxide: a modern anticancer drug? 116 6.4 Exercises 119 6.5 Case studies 121 6.5.1 Phosphate solution for rectal use 121 6.5.2 Forensic test for arsenic 121 References 122 Further Reading 122 7 Transition Metals and d-Block Metal Chemistry 123 7.1 What are d-block metals? 123 7.1.1 Electronic configurations 123 7.1.2 Characteristic properties 124 7.1.3 Coordination numbers and geometries 125 7.1.4 Crystal field theory 129 7.2 Group 10: platinum anticancer agents 132 7.2.1 Cisplatin 134 7.2.2 Platinum anticancer agents 140 7.3 Iron and ruthenium 147 7.3.1 Iron 148 7.3.2 Ruthenium 155 7.4 The coinage metals 159 7.4.1 General chemistry 159 7.4.2 Copper-containing drugs 160 7.4.3 Silver: the future of antimicrobial agents? 163 7.4.4 Gold: the fight against rheumatoid arthritis 165 7.5 Group 12 elements: zinc and its role in biological systems 168 7.5.1 General chemistry 169 7.5.2 The role of zinc in biological systems 170 7.5.3 Zinc: clinical applications and toxicity 173 7.6 Exercises 177 7.7 Case studies 179 7.7.1 Silver nitrate solution 179 7.7.2 Ferrous sulfate tablets 179 7.7.3 Zinc sulfate eye drops 180 References 181 Further Reading 181 8 Organometallic Chemistry 183 8.1 What is organometallic chemistry? 183 8.2 What are metallocenes? 185 8.3 Ferrocene 187 8.3.1 Ferrocene and its derivatives as biosensors 188 8.3.2 Ferrocene derivatives as potential antimalarial agent 189 8.3.3 Ferrocifen a new promising agent against breast cancer? 191 8.4 Titanocenes 194 8.4.1 History of titanium-based anticancer agents: titanocene dichloride and budotitane 195 8.4.2 Further developments of titanocenes as potential anticancer agents 197 8.5 Vanadocenes 200 8.5.1 Vanadocene dichloride as anticancer agents 202 8.5.2 Further vanadium-based drugs: insulin mimetics 203 8.6 Exercises 207 8.7 Case study titanium dioxide 209 References 210 Further Reading 210 9 The Clinical Use of Lanthanoids 211 9.1 Biology and toxicology of lanthanoids 211 9.2 The clinical use of lanthanum carbonate 213 9.3 The clinical application of cerium salts 214 9.4 The use of gadolinium salts as MRI contrast agents 215 9.5 Exercises 219 9.6 Case study: lanthanum carbonate tablets 221 References 222 Further Reading 222 10 Radioactive Compounds and Their Clinical Application 223 10.1 What is radioactivity? 223 10.1.1 The atomic structure 223 10.1.2 Radioactive processes 224 10.1.3 Radioactive decay 224 10.1.4 Penetration potential 227 10.1.5 Quantification of radioactivity 227 10.2 Radiopharmacy: dispensing and protection 232 10.3 Therapeutic use of radiopharmaceuticals 233 10.3.1 131Iodine: therapy for hyperthyroidism 233 10.3.2 89Strontium 234 10.3.3 Boron neutron capture therapy (BNCT) 235 10.4 Radiopharmaceuticals for imaging 235 10.4.1 99mTechnetium 237 10.4.2 18Fluoride: PET scan 240 10.4.3 67Gallium: PET 241 10.4.4 201Thallium 242 10.5 Exercises 245 10.6 Case studies 247 10.6.1 A sample containing 99mTc was found to have a radioactivity of 15 mCi at 8 a.m. when the sample was tested. 247 10.6.2 A typical intravenous dose of 99mTc-albumin used for lung imaging contains a radioactivity of 4 mCi 247 10.6.3 Develop a quick-reference radioactive decay chart for 131I 247 References 248 Further Reading 248 11 Chelation Therapy 249 11.1 What is heavy-metal poisoning? 249 11.2 What is chelation? 250 11.3 Chelation therapy 252 11.3.1 Calcium disodium edetate 252 11.3.2 Dimercaprol (BAL) 253 11.3.3 Dimercaptosuccinic acid (DMSA) 254 11.3.4 2,3-Dimercapto-1-propanesulfonic acid (DMPS) 254 11.3.5 Lipoic acid (ALA) 254 11.4 Exercises 257 11.5 Case studies 259 11.5.1 Disodium edetate 259 11.5.2 Dimercaprol 259 References 261 Further Reading 261 Index 263.
  • (source: Nielsen Book Data)
A comprehensive introduction to inorganic chemistry and, specifically, the science of metal-based drugs, Essentials of Inorganic Chemistry describes the basics of inorganic chemistry, including organometallic chemistry and radiochemistry, from a pharmaceutical perspective. Written for students of pharmacy and pharmacology, pharmaceutical sciences, medicinal chemistry and other health-care related subjects, this accessible text introduces chemical principles with relevant pharmaceutical examples rather than as stand-alone concepts, allowing students to see the relevance of this subject for their future professions. It includes exercises and case studies.
(source: Nielsen Book Data)
  • Preface xiii About the Companion Website xv 1 Introduction 1 1.1 Medicinal inorganic chemistry 1 1.1.1 Why use metal-based drugs? 2 1.2 Basic inorganic principles 3 1.2.1 Electronic structures of atoms 3 1.2.2 Bonds 9 1.3 Exercises 17 References 18 Further Reading 18 2 Alkali Metals 19 2.1 Alkali metal ions 19 2.1.1 Extraction of alkali metals: an introduction to redox chemistry 20 2.1.2 Excursus: reduction oxidation reactions 21 2.1.3 Chemical behaviour of alkali metals 27 2.2 Advantages and disadvantages using lithium-based drugs 29 2.2.1 Isotopes of lithium and their medicinal application 29 2.2.2 Historical developments in lithium-based drugs 29 2.2.3 The biology of lithium and its medicinal application 30 2.2.4 Excursus: diagonal relationship and periodicity 31 2.2.5 What are the pharmacological targets of lithium? 33 2.2.6 Adverse effects and toxicity 34 2.3 Sodium: an essential ion in the human body 34 2.3.1 Osmosis 35 2.3.2 Active transport of sodium ions 37 2.3.3 Drugs, diet and toxicity 38 2.4 Potassium and its clinical application 40 2.4.1 Biological importance of potassium ions in the human body action potential 40 2.4.2 Excursus: the Nernst equation 40 2.4.3 Potassium salts and their clinical application: hypokalaemia 42 2.4.4 Adverse effects and toxicity: hyperkalaemia 43 2.5 Exercises 45 2.6 Case studies 47 2.6.1 Lithium carbonate (Li2CO3) tablets 47 2.6.2 Sodium chloride eye drops 47 References 48 Further Reading 48 3 Alkaline Earth Metals 49 3.1 Earth alkaline metal ions 49 3.1.1 Major uses and extraction 50 3.1.2 Chemical properties 51 3.2 Beryllium and chronic beryllium disease 52 3.3 Magnesium: competition to lithium? 53 3.3.1 Biological importance 53 3.3.2 Clinical applications and preparations 54 3.4 Calcium: the key to many human functions 55 3.4.1 Biological importance 56 3.4.2 How does dietary calcium intake influence our lives? 57 3.4.3 Calcium deficiency: osteoporosis, hypertension and weight management 57 3.4.4 Renal osteodystrophy 58 3.4.5 Kidney stones 59 3.4.6 Clinical application 59 3.4.7 Side effects 61 3.5 Barium: rat poison or radio-contrast agent? 61 3.6 Exercises 63 3.7 Case studies 65 3.7.1 Magnesium hydroxide suspension 65 3.7.2 Calcium carbonate tablets 65 References 66 Further Reading 66 4 The Boron Group Group 13 67 4.1 General chemistry of group 13 elements 67 4.1.1 Extraction 68 4.1.2 Chemical properties 69 4.2 Boron 70 4.2.1 Introduction 70 4.2.2 Pharmaceutical applications of boric acid 71 4.2.3 Bortezomib 71 4.3 Aluminium 71 4.3.1 Introduction 71 4.3.2 Biological importance 72 4.3.3 Al3+ and its use in water purification 73 4.3.4 Aluminium-based adjuvants 73 4.3.5 Antacids 74 4.3.6 Aluminium-based therapeutics alginate raft formulations 75 4.3.7 Phosphate binders 76 4.3.8 Antiperspirant 76 4.3.9 Potential aluminium toxicity 77 4.4 Gallium 77 4.4.1 Introduction 77 4.4.2 Chemistry 77 4.4.3 Pharmacology of gallium-based drugs 78 4.4.4 Gallium nitrate multivalent use 78 4.4.5 Gallium 8-quinolinolate 79 4.4.6 Gallium maltolate 79 4.4.7 Toxicity and administration 80 4.5 Exercises 81 4.6 Case studies 83 4.6.1 Boric acid API analysis 83 4.6.2 Aluminium hydroxide tablets 83 References 84 Further Reading 84 5 The Carbon Group 85 5.1 General chemistry of group 14 elements 85 5.1.1 Occurrence, extraction and use of group 14 elements 85 5.1.2 Oxidation states and ionisation energies 87 5.1.3 Typical compounds of group 14 elements 87 5.2 Silicon-based drugs versus carbon-based analogues 89 5.2.1 Introduction of silicon groups 90 5.2.2 Silicon isosters 91 5.2.3 Organosilicon drugs 93 5.3 Organogermanium compounds: balancing act between an anticancer drug and a herbal supplement 94 5.3.1 Germanium sesquioxide 95 5.3.2 Spirogermanium 97 5.4 Exercises 99 5.5 Cases studies 101 5.5.1 Simethicone 101 5.5.2 Germanium supplements 101 References 102 Further Reading 102 6 Group 15 Elements 103 6.1 Chemistry of group 15 elements 103 6.1.1 Occurrence and extraction 103 6.1.2 Physical properties 104 6.1.3 Oxidation states and ionisation energy 105 6.1.4 Chemical properties 106 6.2 Phosphorus 106 6.2.1 Adenosine phosphates: ATP, ADP and AMP 107 6.2.2 Phosphate in DNA 107 6.2.3 Clinical use of phosphate 108 6.2.4 Drug interactions and toxicity 112 6.3 Arsenic 112 6.3.1 Salvarsan: the magic bullet the start of chemotherapy 113 6.3.2 Arsenic trioxide: a modern anticancer drug? 116 6.4 Exercises 119 6.5 Case studies 121 6.5.1 Phosphate solution for rectal use 121 6.5.2 Forensic test for arsenic 121 References 122 Further Reading 122 7 Transition Metals and d-Block Metal Chemistry 123 7.1 What are d-block metals? 123 7.1.1 Electronic configurations 123 7.1.2 Characteristic properties 124 7.1.3 Coordination numbers and geometries 125 7.1.4 Crystal field theory 129 7.2 Group 10: platinum anticancer agents 132 7.2.1 Cisplatin 134 7.2.2 Platinum anticancer agents 140 7.3 Iron and ruthenium 147 7.3.1 Iron 148 7.3.2 Ruthenium 155 7.4 The coinage metals 159 7.4.1 General chemistry 159 7.4.2 Copper-containing drugs 160 7.4.3 Silver: the future of antimicrobial agents? 163 7.4.4 Gold: the fight against rheumatoid arthritis 165 7.5 Group 12 elements: zinc and its role in biological systems 168 7.5.1 General chemistry 169 7.5.2 The role of zinc in biological systems 170 7.5.3 Zinc: clinical applications and toxicity 173 7.6 Exercises 177 7.7 Case studies 179 7.7.1 Silver nitrate solution 179 7.7.2 Ferrous sulfate tablets 179 7.7.3 Zinc sulfate eye drops 180 References 181 Further Reading 181 8 Organometallic Chemistry 183 8.1 What is organometallic chemistry? 183 8.2 What are metallocenes? 185 8.3 Ferrocene 187 8.3.1 Ferrocene and its derivatives as biosensors 188 8.3.2 Ferrocene derivatives as potential antimalarial agent 189 8.3.3 Ferrocifen a new promising agent against breast cancer? 191 8.4 Titanocenes 194 8.4.1 History of titanium-based anticancer agents: titanocene dichloride and budotitane 195 8.4.2 Further developments of titanocenes as potential anticancer agents 197 8.5 Vanadocenes 200 8.5.1 Vanadocene dichloride as anticancer agents 202 8.5.2 Further vanadium-based drugs: insulin mimetics 203 8.6 Exercises 207 8.7 Case study titanium dioxide 209 References 210 Further Reading 210 9 The Clinical Use of Lanthanoids 211 9.1 Biology and toxicology of lanthanoids 211 9.2 The clinical use of lanthanum carbonate 213 9.3 The clinical application of cerium salts 214 9.4 The use of gadolinium salts as MRI contrast agents 215 9.5 Exercises 219 9.6 Case study: lanthanum carbonate tablets 221 References 222 Further Reading 222 10 Radioactive Compounds and Their Clinical Application 223 10.1 What is radioactivity? 223 10.1.1 The atomic structure 223 10.1.2 Radioactive processes 224 10.1.3 Radioactive decay 224 10.1.4 Penetration potential 227 10.1.5 Quantification of radioactivity 227 10.2 Radiopharmacy: dispensing and protection 232 10.3 Therapeutic use of radiopharmaceuticals 233 10.3.1 131Iodine: therapy for hyperthyroidism 233 10.3.2 89Strontium 234 10.3.3 Boron neutron capture therapy (BNCT) 235 10.4 Radiopharmaceuticals for imaging 235 10.4.1 99mTechnetium 237 10.4.2 18Fluoride: PET scan 240 10.4.3 67Gallium: PET 241 10.4.4 201Thallium 242 10.5 Exercises 245 10.6 Case studies 247 10.6.1 A sample containing 99mTc was found to have a radioactivity of 15 mCi at 8 a.m. when the sample was tested. 247 10.6.2 A typical intravenous dose of 99mTc-albumin used for lung imaging contains a radioactivity of 4 mCi 247 10.6.3 Develop a quick-reference radioactive decay chart for 131I 247 References 248 Further Reading 248 11 Chelation Therapy 249 11.1 What is heavy-metal poisoning? 249 11.2 What is chelation? 250 11.3 Chelation therapy 252 11.3.1 Calcium disodium edetate 252 11.3.2 Dimercaprol (BAL) 253 11.3.3 Dimercaptosuccinic acid (DMSA) 254 11.3.4 2,3-Dimercapto-1-propanesulfonic acid (DMPS) 254 11.3.5 Lipoic acid (ALA) 254 11.4 Exercises 257 11.5 Case studies 259 11.5.1 Disodium edetate 259 11.5.2 Dimercaprol 259 References 261 Further Reading 261 Index 263.
  • (source: Nielsen Book Data)
A comprehensive introduction to inorganic chemistry and, specifically, the science of metal-based drugs, Essentials of Inorganic Chemistry describes the basics of inorganic chemistry, including organometallic chemistry and radiochemistry, from a pharmaceutical perspective. Written for students of pharmacy and pharmacology, pharmaceutical sciences, medicinal chemistry and other health-care related subjects, this accessible text introduces chemical principles with relevant pharmaceutical examples rather than as stand-alone concepts, allowing students to see the relevance of this subject for their future professions. It includes exercises and case studies.
(source: Nielsen Book Data)
Book
1 online resource (x, 209 pages, 12 unnumbered pages of plates.)
"Provides an introduction to inorganic materials synthesis. Covers common reactions employed in synthesis, ceramic procedures, decomposition of precursor compounds, combustion synthesis, arc and skull methods, reactions at high pressures, mechanochemical methods, use of microwaves, soft chemistry routes, topochemical reactions, intercalation chemistry, Ion-exchange methods of fluxes, sol-gel synthesis, electrochemical methods, hydro-, solvo- and iono-thermal methods, nebulized spray pyrolysis, CVD and ALD, nanomaterials, nanoparticles, nanowires, nanotubes, graphene-like layered structures, materials, metal borides, carbides and nitrides, metal oxides and chalcogenides, metal fluorides, metal silicides, phosphides, intergrowth structures, metal-rich compounds and intermetallics, superconducting compounds, and porous materials, including meal-organic frameworks"-- Provided by publisher.
"Provides an introduction to inorganic materials synthesis. Covers common reactions employed in synthesis, ceramic procedures, decomposition of precursor compounds, combustion synthesis, arc and skull methods, reactions at high pressures, mechanochemical methods, use of microwaves, soft chemistry routes, topochemical reactions, intercalation chemistry, Ion-exchange methods of fluxes, sol-gel synthesis, electrochemical methods, hydro-, solvo- and iono-thermal methods, nebulized spray pyrolysis, CVD and ALD, nanomaterials, nanoparticles, nanowires, nanotubes, graphene-like layered structures, materials, metal borides, carbides and nitrides, metal oxides and chalcogenides, metal fluorides, metal silicides, phosphides, intergrowth structures, metal-rich compounds and intermetallics, superconducting compounds, and porous materials, including meal-organic frameworks"-- Provided by publisher.
Book
1 online resource : illustrations

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