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