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Advances in Near Infrared Spectroscopy and Related Computational Methods
| Advances in Near Infrared Spectroscopy and Related Computational Methods |
| Autore | Bec Krzysztof B |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 electronic resource (496 p.) |
| Soggetto non controllato |
pocket-sized spectrometer
standard germination tests total hydroxycinnamic derivatives hyperspectral image quantitative analysis modeling tissue chemotherapy FTIR spectroscopy cheese biomeasurements chemometrics affine invariance rapid identification biodiagnosis bioanalytical applications fat NIRS pixel-wise paraffin-embedded late preterm maize kernel photonics hyperspectral image processing image processing colorectal cancer test set validation deep convolutional neural network near-infrared fluorescence classification variety discrimination near-infrared hyperspectral imaging ensemble learning light origin traceability Paris polyphylla var. yunnanensis Fourier transform mid-infrared spectroscopy dry matter Fourier transform infrared spectroscopy hyperspectral imaging FT-NIR spectroscopy proximal sensing perfusion measurements near-infrared spectroscopy stained carotenoids cellular imaging perturbation direct model transferability clinical classifications counterfeit and substandard pharmaceuticals hyperspectral imaging technology spectral imaging SVM nutritional parameters extra virgin olive oil ethanol osteopathy living cells object-wise water-mirror approach Chrysanthemum bootstrapping soft shrinkage FTIR PLS-R multivariate data analysis combination bands binary dragonfly algorithm geographical origin Vitis vinifera L. glucose detection di-(2-picolyl)amine non-destructive sensor splanchnic adulteration animal origin melamine artemether MicroNIR™ brain fluorescent probes Folin-Ciocalteu SCiO support vector machine anharmonic quantum mechanical calculations PLSR Zn(II) RMSEP overtones blackberries pasta/sauce blends FT-IR partial least squares calibration partial least squares (PLS) auxiliary diagnosis handheld near-infrared spectroscopy precision viticulture partial least squares seeds vitality freeze-damaged near infrared discriminant analysis corn seed quantum chemical calculation anharmonic calculation Trichosanthis Fructus moisture analytical spectroscopy Raman spectroscopy NIR spectroscopy calibration transfer imaging water lumefantrine BRAF V600E mutation wavelength selection bone cancer imaging visualization near infrared spectroscopy raisins chemometric techniques data fusion prepared slices Ewing sarcoma biomonitoring Rubus fructicosus VIS/NIR hyperspectral imaging combinations bands quantitative analysis model partial least square regression DFT calculations TreeBagger antimalarial tablets accelerated aging agriculture crude drugs spectroscopy rice seeds PLS isotopic substitution multivariate calibration phytoextraction Fourier-transform near-infrared spectroscopy phenolics deparaffinized near-infrared (NIR) spectroscopy SIMCA counter propagation artificial neural network fructose PLS-DA ultra-high performance liquid chromatography aquaphotomics support vector machine-discriminant analysis hier-SVM DNA NIR support vector machine model API principal component analysis |
| ISBN | 3-03928-053-8 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910372786503321 |
Bec Krzysztof B
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| MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Calixarene Complexes: Synthesis, Properties and Applications
| Calixarene Complexes: Synthesis, Properties and Applications |
| Autore | Berberan-Santos Mario |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (198 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
thiosemicarbazone
calix[4]arene metal complex X-ray structure antimicrobial anticancer copper supramolecular inclusion complex fluorescence sensor density functional theory calix[3]arenes metacyclophanes calixarene-analogous metacyclophanes inherent chirality host-guest chemistry dihomooxacalix[4]arenes naphthyl(thio)urea anion receptors alkylammonium hydrochlorides ditopic receptors chiral recognition NMR studies UV-Vis absorption studies fluorescence studies X-ray diffraction DFT calculations calixarene resorcinarene pillararene antibiotic fungicide biofilm inhibition calixarenes threading chirality barfate salts pseudorotaxane chiral axles chiral wheels calixarene-like structure polyoxometalates nitronate crystal structure host–guest chemistry anion receptor anion sensors lanthanides UV–vis studies quantum yields lifetime measurements noncovalent synthesis hierarchical control calix[4]tubes metallo-porphyrins phthalimide derivatives conventional synthesis microwave irradiation ball milling NMR spectroscopy electronic absorption and fluorescence studies |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Calixarene Complexes |
| Record Nr. | UNINA-9910557365803321 |
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Berberan-Santos Mario
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Carbon Ligands : From Fundamental Aspects to Applications
| Carbon Ligands : From Fundamental Aspects to Applications |
| Autore | Canac Yves |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (311 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
carbenes
ylides DFT calculations electronic structure catalysis ligands structure-activity relationship NHC nanoparticle calixarene palladium catalyst Suzuki-Miyaura reaction amino-acids water carbon ligand amide negative charge phosphonium ylide oxide pincer metathesis ruthenium nitro catalysts NHC ligands olefins selenonium ylides selenonium salts chirality stereogenic selenium atom asymmetric synthesis optical resolution reactivity malaria Plasmodium falciparum gold NHC-ligands hybrid molecules drug resistance N-heterocyclic carbene platinum metal complexes 195Pt NMR N-heterocyclic carbenes imidazole spectroscopy X-ray mercury(II) complex T-shaped carbodiphosphorane phosphorus ylides pincer ligands coordination chemistry Cu(I) complex photoluminescence titanium hafnium copolymerization of epoxide with CO2 density functional theory natural bond orbitals aromaticity ion pairs alkali metals tropylidenyl ions cyclooctatetraene ions rhodium electron paramagnetic resonance (EPR) spectroscopy density functional theory (DFT) electrochemistry carbone complexes carbido complexes transition metal complexes chemical bonding pincer ligand macrocycle lithium potassium intramolecular C-H activation dehydrogenation carbone ligand germylene coordination ylide |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Carbon Ligands |
| Record Nr. | UNINA-9910557372703321 |
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Canac Yves
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Catalysis by Metals on Perovskite-Type Oxides
| Catalysis by Metals on Perovskite-Type Oxides |
| Autore | Ferri Davide |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (165 p.) |
| Soggetto topico |
Research & information: general
Technology: general issues |
| Soggetto non controllato |
perovskite-type oxide (PTO)
cobalt gallium potassium higher alcohols syngas perovskites advanced oxidation processes (AOPs) Fenton-like peroxymonosulfate heterogeneous photocatalysis Fe-substitution operando X-ray absorption spectroscopy oxygen evolution reaction double perovskite catalysts oxy(hydroxide) heterogeneous catalysis surface science materials science CO oxidation DFT calculations transition metal doping nickel La0.3Sr0.55Ti0.95Ni0.05O3±δ catalyst regeneration structural reversibility H2S solid oxide fuel cell sol-gel method LaFeO3 visible light photocatalysis perovskite-type structure Mott-Schottky plot perovskite NO to NO2 oxidation NOx storage capacity LNT catalysts NO oxidation catalytic oxidation nitric oxide nitric acid ostwald's process in situ LaCoO3 LaMnO3 LaNiO3 volatile organic compounds reactive grinding toluene |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557346703321 |
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Ferri Davide
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Electrocatalysts for Oxygen/Hydrogen-Involved Reactions
| Electrocatalysts for Oxygen/Hydrogen-Involved Reactions |
| Autore | Guan Jingqi |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (122 p.) |
| Soggetto topico |
Technology: general issues
History of engineering & technology Materials science |
| Soggetto non controllato |
SnSe
2D materials hydrogen evolution water splitting DFT calculations defect engineering proton exchange membrane fuel cell high energy efficiency durability degradation Pt/C catalyst anode flexible electronics nanosheets SnO2 oxygen reduction reaction fluorination density functional theory non-noble metal catalyst N-doped carbon catalyst hydrogen evolution reaction porous carbon PtNi alloy platinum nanoparticles electrochemistry reduced graphite oxide microwave ionic liquid tunable aryl alkyl ionic liquid metal-organic frameworks (MOF) electrocatalysis oxygen evolution reaction (OER) nickel ketjenblack Sm0.5Sr0.5Co1−xNixO3−δ perovskite cathode electrocatalyst OER/ORR two-dimensional metal-organic framework ligand single-atom catalysts oxygen evolution reaction |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910566458403321 |
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Guan Jingqi
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential
| From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential |
| Autore | Ribaudo Giovanni |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (234 p.) |
| Soggetto topico |
Medicine
Pharmacology |
| Soggetto non controllato |
SARS-CoV-2
benzoic acid derivatives gallic acid molecular docking reactivity parameters selenoxide elimination one-pot imine-enamine reaction mechanism DFT calculations selenium anti-inflammatory drugs QSAR pain management cyclooxygenase multitarget drug cannabinoid neuropathic pain clopidogrel NMR study oxone peroxymonosulfate sodium halide thienopyridine drug discovery precision medicine pharmacodynamics pharmacokinetics coronavirus SARS-CoV-2 COVID-19 3-chymotrypsin-like protease pyrimidonic pharmaceuticals molecular dynamics simulations binding free energy β-carrageenan antioxidant activity Box-Behken extraction Eucheuma gelatinae physic-chemistry rheology quercetin quercetin 3-O-glucuronide cisplatin nephrotoxicity cytoprotection lithium therapy neurocytology toxicology neuroprotection chemoinformatics big data methadone hydrochloride pharmaceutical solutions drug compounding high performance liquid chromatography stability study microbiology fucoidan alginate L-selectin E-selectin MCP-1 ICAM-1 THP-1 macrophage monocyte migration protein binding breast milk M/P ratio statistical modeling molecular descriptors chromatographic descriptors affinity chromatography anti-ACE anti-DPP-IV gastrointestinal digestion in silico molecular dynamics paramyosin seafood target fishing |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | From a Molecule to a Drug |
| Record Nr. | UNINA-9910585940503321 |
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Ribaudo Giovanni
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Nitrogen-Containing Molecules: Natural and Synthetic Products Including Coordination Compounds
| Nitrogen-Containing Molecules: Natural and Synthetic Products Including Coordination Compounds |
| Autore | Matiadis Dimitrios |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (124 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
heterocycle
piperazine pyrimidine DABCO nucleophilic displacement chlorination [1,3]-H shift aza-Michael addition DFT calculations dimethyl acetylenedicarboxylate isoxazolo[3,4-b]quinolin-3(1H)-one pyrazolines curcuminoids nitrogen heterocycles cytotoxic DNA binding MDR reversal oxygen-nitrogen heterocycles 11a,12-dihydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine disulfur dichloride o-aminophenol condensation 4-anilino-quin(az)olines hinge binder conformational flexibility kinase inhibitor design imine Schiff base X-ray crystallographic analysis Cu(II) complex gamma-amino acid ruthenium carbonyl complex azopyridine anion radical electronic structure magnetic properties chalcogenophene heterocycles ligands pyridine derivatives thiophene derivatives aminocyclopentitol bicyclic aziridine water chemistry nucleophilic substitution homopiperazine X-ray structure C-C bond length 15N-NMR catechol alkyne thiol-alkyne click reaction domino reactions bromination intramolecular SN displacement carbocyclic hydantoins N-1 substituted hydantoin spiro hydantoins imidazolidine-2,4-diones stereochemistry NMR HRMS GIAO ring closing Au-nanoparticles NaBH4 amino-substituted fused oxazolocoumarin fused oxazolocoumarins chemoselective reduction o-hydroxynitrocoumarins benzimidazole nucleophilic aromatic substitution thiosemicarbazone |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Nitrogen-Containing Molecules |
| Record Nr. | UNINA-9910557605603321 |
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Matiadis Dimitrios
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Novel Photoactive Materials
| Novel Photoactive Materials |
| Autore | Diamanti Maria Vittoria |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (166 p.) |
| Soggetto non controllato |
photo-oxidation
silver phosphate low power white-light LED irradiation artificial rain density functional theory (DFT) degradation photocatalytic hybrid nanomaterials band gap modification photodeposition perovskite solar cell titanium oxide titanium(IV) oxo-clusters photo-oxidative degradation confocal microscope composite materials 4-chlorophenol anodizing broadband spectra photoactivity durability bio-based substances photo Fenton crystallinity nanostructured materials hydrothermal TiO2 advanced oxidation processes charge dynamics mechanical property CH3 metal-halides perovskites DFT calculations sol-gel caffeine CuxO-ZnO catalyst water-repellency photocatalysis stone protection surfactant photovoltaics photoluminescence hydrothermal synthesis UV ageing Fe/N-TiO2 visible-light rhodamine B alkylalkoxysilane electron transport material organometal magnetic materials titanium dioxide ZnO organic light emitting diodes (OLEDs) toluene TiO2 nanoparticles |
| ISBN | 3-03897-651-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346685703321 |
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Diamanti Maria Vittoria
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Simulation and Modeling of Nanomaterials
| Simulation and Modeling of Nanomaterials |
| Autore | Bystrov Vladimir S |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (270 p.) |
| Soggetto topico |
Research & information: general
Physics |
| Soggetto non controllato |
single nanowires
silicon dual shells off-resonance absorption photocurrent magnetism transition-metal oxide clusters DFT calculations structure electronic properties LGD theory polarization nanoscale ferroelectrics kinetics homogeneous switching computer simulation fitting diphenylalanine peptide nanotubes self-assembly water molecules DFT molecular modelling semi-empirical methods chirality Ir-modified MoS2 decomposition components of SF6 adsorption and sensing atomistic simulation core–shell bi-magnetic nanoparticles Monte Carlo simulation interfacial exchange terahertz graphene plasmons Drude absorption polarization conversion yield surface plastic flow crystal plasticity polycrystalline aluminum dipeptides helical structures molecular modeling dipole moments tunnel junction machine learning III-nitride hydroxyapatite modeling density functional theory defects vacancies substitutions structural and optical properties band gap electronic density of states nanomaterials plasmon-induced transparency strontium titanate slow light iron doping hydroxyapatite bioceramics hybrid density functional X-ray absorption spectroscopy phenylalanine protein secondary structure optoelectronic devices nanostructured polymer film antireflection coating finite-difference time-domain method ferroelectrics heterostructures domains negative capacitance |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910585943503321 |
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Bystrov Vladimir S
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Supramolecular Chemistry in the 3rd Millennium
| Supramolecular Chemistry in the 3rd Millennium |
| Autore | Housecroft Catherine |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (263 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
anion binding
chloride receptor switchable system hydroquinone redox switch metal-organic frameworks vapour sorption solvatochromism desorption kinetics ion-channels crown-ethers bilayer membranes self-assembly supramolecular chemistry host-guest chemistry coordination cage catalysis crystal structure copper chloride complexes H-bonding pattern tetrazole ligands X-ray diffraction Hirshfeld surfaces uranium(VI) carboxylates capsules structure luminescence multicomponent cocrystal cocrystallization mechanism cocrystal synthesis crystal engineering porous material molecular recognition halogen bond co-crystal molecular tecton binary solid network structure σ-hole molecular electrostatic potential calixarenes coordination clusters manganese molecular magnetism host-guest interaction cucurbit[7]uril 4-pyrrolidinopyridinium copper complexes chlorido ligand displacement catalysis regulation Schiff base ligands urea hydrolysis coordination chemistry hydrogen bonds metalla-assemblies coordination-driven self-assembly orthogonality ligands metal ions complementarity hydrogen bonding cyclotricatechylene metal-organic cage helicate metallosupramolecular chirality copper(II) complexes pyrazolato ligands supramolecular assembly X-ray crystallography magnetic susceptibility EPR spectroscopy isotropic exchange antisymmetric exchange dipolar interaction DFT calculations hydrogen bond pyrazine chloropyrazine chloropyrazin-2-amine copper halide supramolecular structure conformational polymorphism intermolecular contacts N,N',N",N‴-Tetraisopropylpyrophosphoramide pyrophosphoramide synthons supramolecular motifs |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557360903321 |
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Housecroft Catherine
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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