Bicocca Open Archive

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ARRIGONI, FEDERICA
 Distribuzione geografica
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Continente #
NA - Nord America 3.530
EU - Europa 2.767
AS - Asia 797
SA - Sud America 14
AF - Africa 7
OC - Oceania 6
Continente sconosciuto - Info sul continente non disponibili 1
Totale 7.122
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Nazione #
US - Stati Uniti d'America 3.467
IT - Italia 889
DE - Germania 570
CN - Cina 364
SE - Svezia 295
IE - Irlanda 272
RU - Federazione Russa 172
GB - Regno Unito 134
HK - Hong Kong 122
VN - Vietnam 102
AT - Austria 97
SG - Singapore 97
UA - Ucraina 73
CA - Canada 63
FR - Francia 62
PL - Polonia 59
IN - India 46
DK - Danimarca 44
FI - Finlandia 35
ID - Indonesia 23
BE - Belgio 17
ES - Italia 16
TR - Turchia 15
BR - Brasile 13
IR - Iran 9
NO - Norvegia 9
CZ - Repubblica Ceca 7
NL - Olanda 7
PK - Pakistan 6
AU - Australia 4
EG - Egitto 3
IL - Israele 3
JP - Giappone 3
RO - Romania 3
TW - Taiwan 3
KR - Corea 2
NG - Nigeria 2
NZ - Nuova Zelanda 2
AR - Argentina 1
AZ - Azerbaigian 1
CH - Svizzera 1
EU - Europa 1
GR - Grecia 1
HR - Croazia 1
HU - Ungheria 1
LB - Libano 1
PT - Portogallo 1
RS - Serbia 1
SC - Seychelles 1
ZA - Sudafrica 1
Totale 7.122
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Città #
Ann Arbor 1.228
Frankfurt am Main 402
Milan 307
Chandler 272
Dublin 262
Wilmington 227
Fairfield 203
Woodbridge 199
Ashburn 157
Houston 143
Hong Kong 120
New York 118
Vienna 97
Princeton 95
Seattle 91
Dearborn 87
Shanghai 77
Cambridge 75
Jacksonville 67
Singapore 63
Dong Ket 53
Nanjing 53
Kraków 50
Fremont 37
Guangzhou 33
Lawrence 33
Beijing 27
Jakarta 23
Altamura 22
London 19
Nanchang 19
Ottawa 19
San Diego 19
Toronto 19
Helsinki 18
Rome 17
Jinan 16
Brussels 15
Falls Church 14
Hangzhou 14
Pune 14
Boardman 13
Edmonton 12
Tianjin 12
Zhengzhou 11
Como 10
Grafing 10
Hebei 10
Lachine 10
Oxford 10
Vimercate 10
Andover 9
Changchun 9
Chicago 9
Shenyang 9
Bergen 8
Changsha 8
Los Angeles 8
Marseille 8
Naples 8
Ningbo 8
Novate Milanese 8
Paris 8
Sesto San Giovanni 8
Washington 8
Brno 7
Carate Brianza 7
Ardabil 6
Barcelona 6
Bergamo 6
Brescia 6
Fasano 6
Parma 6
Pioltello 6
Sacramento 6
Suzhou 6
Turin 6
Bologna 5
Brugine 5
Chengdu 5
Desio 5
Jiaxing 5
Kiev 5
Leawood 5
Norwalk 5
Nürnberg 5
Palermo 5
Radomsko 5
San Mateo 5
Cagliari 4
Cantù 4
Düren 4
Genoa 4
Kunming 4
Lanzhou 4
Lappeenranta 4
Lomazzo 4
Madrid 4
Monza 4
Munich 4
Totale 5.226
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Nome #
Chemistry and renewable energy: DFT investigation on CO2 reduction and H2 oxidation/production catalyzed by transition metal biomimics. 276
On the reactivity of the most efficient iron-based catalyst for CO2 hydrogenation: a DFT picture 273
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 240
Synthesis, Molecular Modeling and Biological Evaluation of Metabolically Stable Analogues of the Endogenous Fatty Acid Amide Palmitoylethanolamide 233
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 219
First-Principles Calculations on Ni,Fe-Containing Carbon Monoxide Dehydrogenases Reveal Key Stereoelectronic Features for Binding and Release of CO2 to/from the C-Cluster 212
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 202
The Photochemistry of Fe2(S2C3H6)(CO)6(µ-CO) and Its Oxidized Form, Two Simple [FeFe]-Hydrogenase CO-Inhibited Models. A DFT and TDDFT Investigation 196
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation 194
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 190
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling 185
Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6 183
DFT Dissection of the Reduction Step in H2 Catalytic Production by [FeFe]-Hydrogenase-Inspired Models: Can the Bridging Hydride Become More Reactive Than the Terminal Isomer? 178
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 175
Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems 173
Excited state properties of a [FeFe] hydrogenase active site models. The Time-Dependent Density Functional Theory theoretical picture 172
Effect of Pyramidalization of the M2(SR)2 Center: The Case of (C5H5)2Ni2(SR)2 172
Triiron clusters derived from dinuclear complexes related to the active site of [Fe-Fe] hydrogenases: Steric effect of the dithiolate bridge on redox properties, a DFT analysis 169
Electron-Rich, Diiron Bis(monothiolato) Carbonyls: C-S Bond Homolysis in a Mixed Valence Diiron Dithiolate 167
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 165
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 162
Copper reduction and dioxygen activation in Cu-amyloid beta peptide complexes: insight from molecular modelling 162
Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls 162
Mechanistic Insight into Electrocatalytic H2 Production by [Fe2(CN)μ-CN(Me)2(μ-CO)(CO)(Cp)2]: Effects of Dithiolate Replacement in [FeFe] Hydrogenase Models 159
Quantum Chemistry serving biotechnologies: the interesting case of metalloenzyme active sites 157
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 153
Redox potentials of small inorganic radicals and hexa-aquo complexes of first-row transition metals in water: a dft study based on the grand canonical ensemble 152
Influence of the Dithiolate Bridge on the Oxidative Processes of Diiron Models Related to the Active Site of [FeFe] Hydrogenases 143
Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties 142
Synthetic Designs and Structural Investigations of Biomimetic Ni-Fe Thiolates 141
Proton Shuttle Mediated by (SCH2)2P= O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies 135
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 133
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis. 111
Electrochemical and Theoretical Investigations of the Oxidatively Induced Reactivity of the Complex [Fe2(CO)4(κ2-dmpe)(μ-adtBn)] Related to the Active Site of [FeFe] Hydrogenases 102
Characterization of the p.L145F and p.S135N Mutations in SOD1: Impact on the Metabolism of Fibroblasts Derived from Amyotrophic Lateral Sclerosis Patients 100
Computational and Experimental Investigations of the Fe2(μ-S2)/Fe2(μ-S)2Equilibrium 96
Insights into the two-electron reductive process of [FeFe]H2ase biomimetics. Cyclic voltammetry and DFT investigation on chelates control of redox properties of [Fe2(CO)4(κ2-chelate)(µ-dithiolate)] 94
null 88
CO substitution by PPh3in Fe2S2(CO)6proceeds via a novel Fe2S intermediate 86
DFT investigation of binding and redox properties of the Hox redox state of [FeFe]-hydrogenases 83
Mechanism of Hydrogen Sulfide-Dependent Inhibition of FeFe Hydrogenase 77
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 64
Geometrical influence on the non-biomimetic heterolytic splitting of H2 by bio-inspired [FeFe]-hydrogenase complexes: a rare example of inverted frustrated Lewis pair based reactivity 60
Machine Learning for Efficient Prediction of Protein Redox Potential: The Flavoproteins Case 60
A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity 56
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis 56
Exome Sequencing in an ADSHE Family: VUS Identification and Limits 54
Oxidation of Phospholipids by OH Radical Coordinated to Copper Amyloid-β Peptide—A Density Functional Theory Modeling 50
Superoxide Reduction by Cu-Amyloid Beta Peptide Complexes: A Density Functional Theory Study 47
Beyond the iron-dithiolate mimic paradigm: new insight into the mechanism of electrocatalytic H2 production with mu-carbyne diiron complexes. 47
DFT study of CO2 activation promoted by a class of thiolate-bridged di-iron complexes with a [Cp*Fe(μ-SR)2FeCp*] scaffold 46
Activation of the N2 molecule by means of low-valence complexes of calcium and magnesium 42
Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation 41
H2 oxidation and proton reduction in [FeFe]-hydrogenase biomimetics: looking backwards and forwards for new synthetic mimics. The DFT viewpoint 37
null 36
Adaptation of the endemic coronaviruses HCoV-OC43 and HCoV-229E to the human host 35
H2 oxidation and proton reduction in [FeFe]-hydrogenase biomimetics: looking backwards and forwards for new synthetic mimics. The DFT viewpoint 34
Normal vs. Inverted Ordering of Reduction Potentials in [FeFe]-Hydrogenases Biomimetics: Effect of the Dithiolate Bulk 32
Homology-based classification of accessory proteins in coronavirus genomes uncovers extremely dynamic evolution of gene content 32
Selective events at individual sites underlie the evolution of monkeypox virus clades 29
Insights into Triazolylidene Ligands Behaviour at a Di-Iron Site Related to [FeFe]-Hydrogenases 27
C-Cl Bond Activation at Rotated vs Unrotated Dinuclear Site Related to [FeFe]-Hydrogenases 21
Oxidative degradation of polyethylene by two novel laccase-like multicopper oxidases from Rhodococcus opacus R7 20
Dating the Emergence of Human Endemic Coronaviruses 20
Use of the Asymmetrical Chelating N-Donor 2-Imino-Pyridine as a Redox [Fe4S4] Cubane Surrogate at a Di-Iron Site Related to [FeFe]-Hydrogenases 18
Synthesis, Spectroscopy, and Structure of [FeRu(μ-dithiolate)(CN)2(CO)4]2- 17
Mechanism of non-phenolic substrate oxidation by the fungal laccase Type 1 copper site from Trametes versicolor: the case of benzo[a]pyrene and anthracene 7
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]-Hydrogenase Active Site: A DFT Case Study on Electron-Rich, Isocyanide-Based Scaffolds 1
Challenges in the Synthesis of Active Site Mimics for [NiFe]-Hydrogenases 1
Totale 7.602
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Categoria #
all - tutte 25.656
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 25.656
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020746 0 42 30 50 77 102 132 69 56 95 60 33
2020/20211.417 53 32 85 108 142 155 94 170 131 137 118 192
2021/20221.097 117 177 100 111 81 108 68 49 42 37 80 127
2022/20231.544 159 316 167 178 107 237 60 79 115 28 69 29
2023/20241.303 53 38 64 112 153 278 211 61 75 42 22 194
2024/2025190 150 40 0 0 0 0 0 0 0 0 0 0
Totale 7.602