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Book
The chemistry of the carbon-nitrogen double bond
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Year: 1970 Publisher: London,New York : Interscience Publishers,

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Abstract

The chemistry of the carbon-nitrogen double bond
Author:
ISBN: 0471669423 9780471669425 Year: 1970 Publisher: London : John Wiley,


Book
Studies on the schiff bases of medicinal sulphonamides and formation and properties of their transition metal chelates
Author:
ISBN: 9514104226 Year: 1981 Volume: vol 194 Publisher: Helsinki : Suomalainen tiedeakatemia = Academia scientiarum fennica,


Book
σ- and π-Hole Interactions
Author:
Year: 2021 Publisher: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute

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This book describes unconventional noncovalent interactions and analyzes their importance for crystal growth in organic and hybrid organic–inorganic systems. Several examples illustrate how the combination of theory and experiment allows rationalizing the strength and directionality of noncovalent interactions. This book elegantly describes the results of a survey of X-ray structures of main group element compounds (M = Sn, Pb As, Sb, Bi, and Te) exhibiting intermolecular M•••Se noncovalent interactions in one of its chapters. Moreover, it provides a consistent description of noncovalent interactions, covering most groups of the periodic table. The interactions are described and discussed using their trivial names. That is, a comprehensive and accurate description is provided for alkali, alkaline earth, regium, spodium, triel, tetrel, pnictogen, chalcogen, halogen, and aerogen bonding interactions. No other book is available covering such an extensive number of interactions and examples where these interactions are relevant. relevant.


Book
Intramolecular Hydrogen Bonding 2021
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Year: 2021 Publisher: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute

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This book describes the results of both theoretical and experimental research on many topical issues in intramolecular hydrogen bonding. Its great advantage is that the presented research results have been obtained using many different techniques. Therefore, it is an excellent review of these methods, while showing their applicability to the current scientific issues regarding intramolecular hydrogen bonds. The experimental techniques used include X-ray diffraction, infrared and Raman spectroscopy (IR), nuclear magnetic resonance spectroscopy (NMR), nuclear quadrupole resonance spectroscopy (NQR), incoherent inelastic neutron scattering (IINS), and differential scanning calorimetry (DSC). The solvatochromic and luminescent studies are also described. On the other hand, theoretical research is based on ab initio calculations and the Car–Parrinello Molecular Dynamics (CPMD). In the latter case, a description of nuclear quantum effects (NQE) is also possible. This book also demonstrates the use of theoretical methods such as Quantum Theory of Atoms in Molecules (QTAIM), Interacting Quantum Atoms (IQA), Natural Bond Orbital (NBO), Non-Covalent Interactions (NCI) index, Molecular Tailoring Approach (MTA), and many others.

Keywords

Research & information: general --- intramolecular interaction --- interaction energy --- hydrogen bond --- intramolecular hydrogen bonds --- deuterium isotope effects on chemical shifts --- isotope ratios --- hydrogen bond energies --- intramolecular hydrogen bonding --- high-accuracy extrapolation methods --- QTAIM --- non-covalent interactions --- local vibrational modes --- hydrogen bond (HB) --- intramolecular hydrogen bond (IHB) --- molecular tailoring approach (MTA) --- fragmentation methods --- bond energy estimation --- noncovalent interactions --- structures and binding energies --- charge-transfer interactions --- spin–spin coupling constants --- polymorphism --- isomerization --- phase transition --- nitro group --- matrix isolation --- IINS --- FT-IR --- Raman --- X-ray --- NQR --- DSC --- DFT --- Schiff base --- N-salicylidene aniline derivative --- photophysical properties --- solvatochromism --- Hirshfeld surface analysis --- amino-alcohols --- α-substitution --- beryllium bonds --- calculated infrared spectra --- interacting quantum atoms --- resonance-assisted hydrogen bond --- Schiff bases --- inelastic incoherent neutron scattering --- isotopic effect --- excited-state intramolecular proton transfer --- photochemistry --- photobiology --- quantum chemistry --- molecular dynamics --- ultrafast processes --- gas phase --- crystalline phase --- MP2 --- CCSD --- AIM --- SAPT --- nuclear quantum effects --- CPMD --- n/a --- spin-spin coupling constants


Book
σ- and π-Hole Interactions
Author:
Year: 2021 Publisher: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute

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Abstract

This book describes unconventional noncovalent interactions and analyzes their importance for crystal growth in organic and hybrid organic–inorganic systems. Several examples illustrate how the combination of theory and experiment allows rationalizing the strength and directionality of noncovalent interactions. This book elegantly describes the results of a survey of X-ray structures of main group element compounds (M = Sn, Pb As, Sb, Bi, and Te) exhibiting intermolecular M•••Se noncovalent interactions in one of its chapters. Moreover, it provides a consistent description of noncovalent interactions, covering most groups of the periodic table. The interactions are described and discussed using their trivial names. That is, a comprehensive and accurate description is provided for alkali, alkaline earth, regium, spodium, triel, tetrel, pnictogen, chalcogen, halogen, and aerogen bonding interactions. No other book is available covering such an extensive number of interactions and examples where these interactions are relevant. relevant.


Book
Intramolecular Hydrogen Bonding 2021
Author:
Year: 2021 Publisher: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute

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Abstract

This book describes the results of both theoretical and experimental research on many topical issues in intramolecular hydrogen bonding. Its great advantage is that the presented research results have been obtained using many different techniques. Therefore, it is an excellent review of these methods, while showing their applicability to the current scientific issues regarding intramolecular hydrogen bonds. The experimental techniques used include X-ray diffraction, infrared and Raman spectroscopy (IR), nuclear magnetic resonance spectroscopy (NMR), nuclear quadrupole resonance spectroscopy (NQR), incoherent inelastic neutron scattering (IINS), and differential scanning calorimetry (DSC). The solvatochromic and luminescent studies are also described. On the other hand, theoretical research is based on ab initio calculations and the Car–Parrinello Molecular Dynamics (CPMD). In the latter case, a description of nuclear quantum effects (NQE) is also possible. This book also demonstrates the use of theoretical methods such as Quantum Theory of Atoms in Molecules (QTAIM), Interacting Quantum Atoms (IQA), Natural Bond Orbital (NBO), Non-Covalent Interactions (NCI) index, Molecular Tailoring Approach (MTA), and many others.


Book
σ- and π-Hole Interactions
Author:
Year: 2021 Publisher: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute

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Bookmark

Abstract

This book describes unconventional noncovalent interactions and analyzes their importance for crystal growth in organic and hybrid organic–inorganic systems. Several examples illustrate how the combination of theory and experiment allows rationalizing the strength and directionality of noncovalent interactions. This book elegantly describes the results of a survey of X-ray structures of main group element compounds (M = Sn, Pb As, Sb, Bi, and Te) exhibiting intermolecular M•••Se noncovalent interactions in one of its chapters. Moreover, it provides a consistent description of noncovalent interactions, covering most groups of the periodic table. The interactions are described and discussed using their trivial names. That is, a comprehensive and accurate description is provided for alkali, alkaline earth, regium, spodium, triel, tetrel, pnictogen, chalcogen, halogen, and aerogen bonding interactions. No other book is available covering such an extensive number of interactions and examples where these interactions are relevant. relevant.

Keywords

Research & information: general --- Biology, life sciences --- non-covalent interactions --- regium bonds --- silver(I) --- coinage metals --- pyrazolates --- phosphines --- halogen bonding --- hydrogen bonding sigma-hole interactions --- theoretical studies --- characterizations --- noncovalent interactions --- Lewis acids --- Lewis bases --- spodium bonds --- σ/π-hole interactions --- EDTA --- 2,6-diaminopurine --- cadmium --- co-crystal --- H-bonding --- π–π stacking --- triazinane --- 1,3,5-Triazacyclohexane --- Hirshfeld surface analysis --- DFT study --- C–H···π interaction --- hybridization of a nitrogen atom in sulfonamides --- molecular cocrystal --- sandwiched-layer structure --- C–I···F halogen bonds --- π···π stacking interactions --- PBE0-D3(BJ) calculations --- secondary bonding --- supramolecular --- crystal engineering --- tetrel bonding --- pnictogen bonding --- chalcogen bonding --- selenium --- structural chemistry --- main group elements --- π–hole interaction --- substituent effects --- vibrational spectroscopy --- local vibrational mode theory --- direct measure for π–hole interaction strength --- noncovalent interaction --- hydrogen bonding --- nickel --- Schiff bases --- crystallography --- σ-hole --- π-hole --- crystal growth --- supramolecular chemistry --- σ-hole interactions --- self-assembly --- scanning tunneling microscopy --- non-covalent interactions --- regium bonds --- silver(I) --- coinage metals --- pyrazolates --- phosphines --- halogen bonding --- hydrogen bonding sigma-hole interactions --- theoretical studies --- characterizations --- noncovalent interactions --- Lewis acids --- Lewis bases --- spodium bonds --- σ/π-hole interactions --- EDTA --- 2,6-diaminopurine --- cadmium --- co-crystal --- H-bonding --- π–π stacking --- triazinane --- 1,3,5-Triazacyclohexane --- Hirshfeld surface analysis --- DFT study --- C–H···π interaction --- hybridization of a nitrogen atom in sulfonamides --- molecular cocrystal --- sandwiched-layer structure --- C–I···F halogen bonds --- π···π stacking interactions --- PBE0-D3(BJ) calculations --- secondary bonding --- supramolecular --- crystal engineering --- tetrel bonding --- pnictogen bonding --- chalcogen bonding --- selenium --- structural chemistry --- main group elements --- π–hole interaction --- substituent effects --- vibrational spectroscopy --- local vibrational mode theory --- direct measure for π–hole interaction strength --- noncovalent interaction --- hydrogen bonding --- nickel --- Schiff bases --- crystallography --- σ-hole --- π-hole --- crystal growth --- supramolecular chemistry --- σ-hole interactions --- self-assembly --- scanning tunneling microscopy


Book
Intramolecular Hydrogen Bonding 2021
Author:
Year: 2021 Publisher: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute

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Abstract

This book describes the results of both theoretical and experimental research on many topical issues in intramolecular hydrogen bonding. Its great advantage is that the presented research results have been obtained using many different techniques. Therefore, it is an excellent review of these methods, while showing their applicability to the current scientific issues regarding intramolecular hydrogen bonds. The experimental techniques used include X-ray diffraction, infrared and Raman spectroscopy (IR), nuclear magnetic resonance spectroscopy (NMR), nuclear quadrupole resonance spectroscopy (NQR), incoherent inelastic neutron scattering (IINS), and differential scanning calorimetry (DSC). The solvatochromic and luminescent studies are also described. On the other hand, theoretical research is based on ab initio calculations and the Car–Parrinello Molecular Dynamics (CPMD). In the latter case, a description of nuclear quantum effects (NQE) is also possible. This book also demonstrates the use of theoretical methods such as Quantum Theory of Atoms in Molecules (QTAIM), Interacting Quantum Atoms (IQA), Natural Bond Orbital (NBO), Non-Covalent Interactions (NCI) index, Molecular Tailoring Approach (MTA), and many others.

Keywords

Research & information: general --- intramolecular interaction --- interaction energy --- hydrogen bond --- intramolecular hydrogen bonds --- deuterium isotope effects on chemical shifts --- isotope ratios --- hydrogen bond energies --- intramolecular hydrogen bonding --- high-accuracy extrapolation methods --- QTAIM --- non-covalent interactions --- local vibrational modes --- hydrogen bond (HB) --- intramolecular hydrogen bond (IHB) --- molecular tailoring approach (MTA) --- fragmentation methods --- bond energy estimation --- noncovalent interactions --- structures and binding energies --- charge-transfer interactions --- spin-spin coupling constants --- polymorphism --- isomerization --- phase transition --- nitro group --- matrix isolation --- IINS --- FT-IR --- Raman --- X-ray --- NQR --- DSC --- DFT --- Schiff base --- N-salicylidene aniline derivative --- photophysical properties --- solvatochromism --- Hirshfeld surface analysis --- amino-alcohols --- α-substitution --- beryllium bonds --- calculated infrared spectra --- interacting quantum atoms --- resonance-assisted hydrogen bond --- Schiff bases --- inelastic incoherent neutron scattering --- isotopic effect --- excited-state intramolecular proton transfer --- photochemistry --- photobiology --- quantum chemistry --- molecular dynamics --- ultrafast processes --- gas phase --- crystalline phase --- MP2 --- CCSD --- AIM --- SAPT --- nuclear quantum effects --- CPMD --- intramolecular interaction --- interaction energy --- hydrogen bond --- intramolecular hydrogen bonds --- deuterium isotope effects on chemical shifts --- isotope ratios --- hydrogen bond energies --- intramolecular hydrogen bonding --- high-accuracy extrapolation methods --- QTAIM --- non-covalent interactions --- local vibrational modes --- hydrogen bond (HB) --- intramolecular hydrogen bond (IHB) --- molecular tailoring approach (MTA) --- fragmentation methods --- bond energy estimation --- noncovalent interactions --- structures and binding energies --- charge-transfer interactions --- spin-spin coupling constants --- polymorphism --- isomerization --- phase transition --- nitro group --- matrix isolation --- IINS --- FT-IR --- Raman --- X-ray --- NQR --- DSC --- DFT --- Schiff base --- N-salicylidene aniline derivative --- photophysical properties --- solvatochromism --- Hirshfeld surface analysis --- amino-alcohols --- α-substitution --- beryllium bonds --- calculated infrared spectra --- interacting quantum atoms --- resonance-assisted hydrogen bond --- Schiff bases --- inelastic incoherent neutron scattering --- isotopic effect --- excited-state intramolecular proton transfer --- photochemistry --- photobiology --- quantum chemistry --- molecular dynamics --- ultrafast processes --- gas phase --- crystalline phase --- MP2 --- CCSD --- AIM --- SAPT --- nuclear quantum effects --- CPMD


Book
Strategies to Improve Antineoplastic Activity of Drugs in Cancer Progression
Author:
ISBN: 3036559272 3036559280 Year: 2022 Publisher: Basel MDPI - Multidisciplinary Digital Publishing Institute

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Abstract

The aim of this Special Issue is to collect reports regarding all the recent strategies, directed at the improvement of antineoplastic activity of drugs in cancer progression, engaging all the expertise needed for the development of new anticancer drugs: medicinal chemistry, pharmacology, molecular biology, and computational and drug delivery studies.

Keywords

Research & information: general --- Biology, life sciences --- EGR-1 --- flavonoid --- (E)-5-((4-oxo-4H-chromen-3-yl)methyleneamino)-1-phenyl-1H-pyrazole-4-carbonitrile --- MDA-MB-231 --- MMP9 --- TNFα --- pancreatic ductal adenocarcinoma --- cyclodextrin inclusion complex --- phase solubility studies --- preformulation studies --- biphenylnicotinamide derivatives --- dual inhibitor --- EGFR --- VEGFR2 --- ligand-based pharmacophore --- molecular docking --- molecular dynamics --- leukemias --- doxorubicin --- inflammation --- drug delivery --- tumor targeting --- elastin-like polypeptide --- cell penetrating peptide --- matrix metalloproteinase --- doxorubicin resistance --- photosensitizer delivery system --- PAMAM dendrimer --- photodynamic therapy --- cytotoxicity --- phototoxicity --- colorectal adenocarcinoma --- dicarboximides --- chemical synthesis --- apoptosis --- kinases --- anticancer --- gene profiling --- SAR --- biomarkers --- colorectal cancer --- early detection examination --- liquid biopsy --- personalized medicine --- tumor treatment --- exosomes --- ctDNA --- CTC --- cytotoxic activity --- pyrazole derivatives --- MTT assay --- ADMET analysis --- single-crystal diffraction --- FTIR spectroscopy --- NMR spectroscopy thermogravimetric analysis --- acute myelogenous leukemia --- platelets --- microparticles --- γδ T cells --- immunotherapy --- tumor resistance --- combination therapy --- tumor microenvironment --- immune checkpoint inhibitor --- neuroblastoma --- molecular iodine --- cyclophosphamide --- xenografts --- metronomic therapy --- tamoxifen --- CYP2D6 --- MCF-7 --- Ishikawa cells --- SERM --- TNBC --- uterotrophic --- α-mangostin --- poly(amidoamine) dendrimer --- targeted drug delivery --- biotin targeting --- glioblastoma multiforme --- squamous cell carcinoma --- antiparasitic therapy --- diclofenac --- indomethacin --- oleanolic acid derivative conjugates --- NF-κB --- Nrf2 --- MAPKs --- PSN-1 cells --- reactive oxygen species --- glioblastoma --- brain tumor --- extracellular vesicles --- pancreatic cancer --- paclitaxel --- clathrin --- endocytosis --- sulforaphane --- nicotine --- metalloproteinase-9 --- gastric cancer --- cell invasion --- Arylquin 1 --- colon cancer --- tumor progression --- azelastine --- oxidative stress --- autophagy --- mitotic catastrophe --- chronic myeloid leukemia --- imatinib --- tyrosine kinase --- ketoconazole --- P-glycoprotein --- drug efflux transporter --- non-small-cell lung cancer --- cisplatin resistance --- aldehyde dehydrogenase --- isothiocyanates --- disulfiram --- epithelial to mesenchymal transition --- aminopeptidase N --- acetamidophenones --- Schiff bases --- semicarbazones --- thiosemicarbazones --- inhibition of proliferation

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