Bicocca Open Archive

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ARRIGONI, FEDERICA
 Distribuzione geografica
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Continente #
NA - Nord America 3.993
EU - Europa 3.078
AS - Asia 1.308
SA - Sud America 21
AF - Africa 7
OC - Oceania 7
Continente sconosciuto - Info sul continente non disponibili 1
Totale 8.415
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Nazione #
US - Stati Uniti d'America 3.923
IT - Italia 1.048
DE - Germania 579
SG - Singapore 443
CN - Cina 431
SE - Svezia 298
IE - Irlanda 273
RU - Federazione Russa 235
GB - Regno Unito 151
HK - Hong Kong 129
AT - Austria 103
VN - Vietnam 103
ID - Indonesia 83
UA - Ucraina 77
CA - Canada 68
FR - Francia 64
PL - Polonia 59
DK - Danimarca 49
IN - India 46
FI - Finlandia 42
ES - Italia 22
BE - Belgio 19
NL - Olanda 19
TR - Turchia 18
BR - Brasile 13
NO - Norvegia 12
TW - Taiwan 12
IR - Iran 9
CL - Cile 7
CZ - Repubblica Ceca 7
PK - Pakistan 7
AU - Australia 5
PH - Filippine 5
CH - Svizzera 4
JP - Giappone 4
AZ - Azerbaigian 3
EG - Egitto 3
IL - Israele 3
KR - Corea 3
PT - Portogallo 3
RO - Romania 3
RS - Serbia 3
TH - Thailandia 3
IQ - Iraq 2
LT - Lituania 2
MX - Messico 2
NG - Nigeria 2
NZ - Nuova Zelanda 2
AE - Emirati Arabi Uniti 1
AL - Albania 1
AM - Armenia 1
AR - Argentina 1
BG - Bulgaria 1
BY - Bielorussia 1
EU - Europa 1
GR - Grecia 1
HR - Croazia 1
HU - Ungheria 1
LB - Libano 1
LK - Sri Lanka 1
SC - Seychelles 1
ZA - Sudafrica 1
Totale 8.415
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Città #
Ann Arbor 1.228
Frankfurt am Main 405
Singapore 404
Milan 349
Chandler 272
Dublin 263
Wilmington 227
Fairfield 203
Woodbridge 199
Santa Clara 181
Ashburn 172
Houston 143
Hong Kong 127
New York 118
Vienna 100
Princeton 95
Seattle 91
Dearborn 87
Jakarta 83
Shanghai 77
Cambridge 75
Jacksonville 67
Dong Ket 53
Nanjing 53
Kraków 50
Romola 39
Fremont 37
Guangzhou 35
Lawrence 33
Beijing 27
Helsinki 24
Altamura 22
Ottawa 22
London 21
Toronto 21
Nanchang 19
San Diego 19
Rome 18
Brussels 17
Venice 17
Jinan 16
Como 14
Falls Church 14
Hangzhou 14
Pune 14
Tianjin 14
Boardman 13
Chicago 12
Edmonton 12
Zhengzhou 12
Barcelona 11
Bergen 11
Grafing 10
Hebei 10
Lachine 10
Oxford 10
Paris 10
Vimercate 10
Andover 9
Changchun 9
Los Angeles 9
Padova 9
Parma 9
Shenyang 9
Tainan City 9
Washington 9
Changsha 8
Marseille 8
Naples 8
Ningbo 8
Novate Milanese 8
Sesto San Giovanni 8
Brno 7
Carate Brianza 7
Munich 7
Turin 7
Ardabil 6
Bergamo 6
Brescia 6
Chengdu 6
Fasano 6
Pioltello 6
Sacramento 6
Seriate 6
Suzhou 6
Amsterdam 5
Bologna 5
Brugine 5
Desio 5
Genoa 5
Jiaxing 5
Kiev 5
Leawood 5
Manila 5
Melzo 5
Norwalk 5
Nürnberg 5
Palermo 5
Radomsko 5
San Mateo 5
Totale 5.987
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Nome #
Chemistry and renewable energy: DFT investigation on CO2 reduction and H2 oxidation/production catalyzed by transition metal biomimics. 311
On the reactivity of the most efficient iron-based catalyst for CO2 hydrogenation: a DFT picture 285
Synthesis, Molecular Modeling and Biological Evaluation of Metabolically Stable Analogues of the Endogenous Fatty Acid Amide Palmitoylethanolamide 264
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 255
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 239
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 233
Rational Design of Fe2(μ-PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion 228
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 215
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 209
On the importance of cyanide in diiron bridging carbyne complexes, unconventional [FeFe]-hydrogenase mimics without dithiolate: An electrochemical and DFT investigation 204
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry 203
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling 200
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 190
Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6 188
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? 187
Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems 184
Excited state properties of a [FeFe] hydrogenase active site models. The Time-Dependent Density Functional Theory theoretical picture 181
Catalytic H2 evolution/oxidation in [FeFe]-hydrogenase biomimetics: account from DFT on the interplay of related issues and proposed solutions 180
Electron-Rich, Diiron Bis(monothiolato) Carbonyls: C-S Bond Homolysis in a Mixed Valence Diiron Dithiolate 179
Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls 177
Effect of Pyramidalization of the M2(SR)2 Center: The Case of (C5H5)2Ni2(SR)2 176
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 172
Copper reduction and dioxygen activation in Cu-amyloid beta peptide complexes: insight from molecular modelling 172
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 165
Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties 164
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 164
Quantum Chemistry serving biotechnologies: the interesting case of metalloenzyme active sites 164
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 163
Influence of the Dithiolate Bridge on the Oxidative Processes of Diiron Models Related to the Active Site of [FeFe] Hydrogenases 151
Proton Shuttle Mediated by (SCH2)2P= O Moiety in [FeFe]-Hydrogenase Mimics: Electrochemical and DFT Studies 149
Synthetic Designs and Structural Investigations of Biomimetic Ni-Fe Thiolates 148
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 142
Characterization of the p.L145F and p.S135N Mutations in SOD1: Impact on the Metabolism of Fibroblasts Derived from Amyotrophic Lateral Sclerosis Patients 125
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis. 122
Computational study of the structure and catalytic mechanism of xylene monooxygenase from Pseudomonas putida 116
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 112
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)] 108
Computational and Experimental Investigations of the Fe2(μ-S2)/Fe2(μ-S)2Equilibrium 107
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]-Hydrogenase Active Site: A DFT Case Study on Electron-Rich, Isocyanide-Based Scaffolds 101
CO substitution by PPh3in Fe2S2(CO)6proceeds via a novel Fe2S intermediate 100
Mechanism of Hydrogen Sulfide-Dependent Inhibition of FeFe Hydrogenase 100
DFT investigation of binding and redox properties of the Hox redox state of [FeFe]-hydrogenases 95
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes 82
Machine Learning for Efficient Prediction of Protein Redox Potential: The Flavoproteins Case 79
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 78
Normal vs. Inverted Ordering of Reduction Potentials in [FeFe]-Hydrogenases Biomimetics: Effect of the Dithiolate Bulk 73
Exome Sequencing in an ADSHE Family: VUS Identification and Limits 73
Homology-based classification of accessory proteins in coronavirus genomes uncovers extremely dynamic evolution of gene content 70
Oxidation of Phospholipids by OH Radical Coordinated to Copper Amyloid-β Peptide—A Density Functional Theory Modeling 69
A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity 66
Activation of the N2 molecule by means of low-valence complexes of calcium and magnesium 66
Superoxide Reduction by Cu-Amyloid Beta Peptide Complexes: A Density Functional Theory Study 65
Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation 65
Comparison of H2 oxidation in [FeFe]-hydrogenases and biomimetic models highlights key stereoelectronic features for catalysis 65
Beyond the iron-dithiolate mimic paradigm: new insight into the mechanism of electrocatalytic H2 production with mu-carbyne diiron complexes. 63
Oxidative degradation of polyethylene by two novel laccase-like multicopper oxidases from Rhodococcus opacus R7 62
H2 oxidation and proton reduction in [FeFe]-hydrogenase biomimetics: looking backwards and forwards for new synthetic mimics. The DFT viewpoint 59
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 56
DFT study of CO2 activation promoted by a class of thiolate-bridged di-iron complexes with a [Cp*Fe(μ-SR)2FeCp*] scaffold 52
Challenges in the Synthesis of Active Site Mimics for [NiFe]-Hydrogenases 47
Adaptation of the endemic coronaviruses HCoV-OC43 and HCoV-229E to the human host 46
Selective events at individual sites underlie the evolution of monkeypox virus clades 44
C-Cl Bond Activation at Rotated vs Unrotated Dinuclear Site Related to [FeFe]-Hydrogenases 44
Dating the Emergence of Human Endemic Coronaviruses 44
Insights into Triazolylidene Ligands Behaviour at a Di-Iron Site Related to [FeFe]-Hydrogenases 42
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 42
H2 oxidation and proton reduction in [FeFe]-hydrogenase biomimetics: looking backwards and forwards for new synthetic mimics. The DFT viewpoint 39
Evolution of Virus-like Features and Intrinsically Disordered Regions in Retrotransposon-derived Mammalian Genes 33
Multidentate surfactants for improving stability and biological properties 30
Synthesis, Spectroscopy, and Structure of [FeRu(μ-dithiolate)(CN)2(CO)4]2- 29
Totale 8.911
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Categoria #
all - tutte 32.728
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 32.728
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020445 0 0 0 0 0 0 132 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
2024/20251.499 150 295 346 243 285 169 11 0 0 0 0 0
Totale 8.911