Bicocca Open Archive

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BRUSCHI, MAURIZIO
 Distribuzione geografica
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Continente #
NA - Nord America 11.180
EU - Europa 4.947
AS - Asia 2.367
SA - Sud America 95
AF - Africa 15
OC - Oceania 10
Continente sconosciuto - Info sul continente non disponibili 5
Totale 18.619
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Nazione #
US - Stati Uniti d'America 10.914
CN - Cina 938
IT - Italia 917
SE - Svezia 757
DE - Germania 632
SG - Singapore 585
UA - Ucraina 543
IE - Irlanda 529
RU - Federazione Russa 410
HK - Hong Kong 352
GB - Regno Unito 316
VN - Vietnam 274
CA - Canada 265
PL - Polonia 209
AT - Austria 152
FR - Francia 131
FI - Finlandia 120
DK - Danimarca 95
IN - India 89
BR - Brasile 83
NL - Olanda 60
TR - Turchia 59
BE - Belgio 36
ID - Indonesia 19
JP - Giappone 14
ES - Italia 13
IR - Iran 11
RO - Romania 11
AU - Australia 6
CH - Svizzera 5
CL - Cile 4
IL - Israele 4
MA - Marocco 4
NZ - Nuova Zelanda 4
AR - Argentina 3
CO - Colombia 3
CZ - Repubblica Ceca 3
EG - Egitto 3
EU - Europa 3
SC - Seychelles 3
TW - Taiwan 3
AE - Emirati Arabi Uniti 2
BD - Bangladesh 2
BG - Bulgaria 2
KR - Corea 2
SA - Arabia Saudita 2
ZA - Sudafrica 2
A1 - Anonimo 1
A2 - ???statistics.table.value.countryCode.A2??? 1
AF - Afghanistan, Repubblica islamica di 1
AZ - Azerbaigian 1
BN - Brunei Darussalam 1
BY - Bielorussia 1
GR - Grecia 1
HU - Ungheria 1
IQ - Iraq 1
KE - Kenya 1
KZ - Kazakistan 1
LB - Libano 1
LK - Sri Lanka 1
LT - Lituania 1
ML - Mali 1
MN - Mongolia 1
MT - Malta 1
MU - Mauritius 1
MX - Messico 1
MY - Malesia 1
PK - Pakistan 1
RS - Serbia 1
TH - Thailandia 1
UY - Uruguay 1
VE - Venezuela 1
Totale 18.619
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Città #
Ann Arbor 2.234
Woodbridge 1.266
Fairfield 892
Wilmington 861
Chandler 596
Jacksonville 590
Houston 540
Dublin 507
Ashburn 490
Singapore 434
Frankfurt am Main 423
Dearborn 422
Hong Kong 350
Seattle 334
Milan 319
Santa Clara 319
Cambridge 299
Princeton 236
Kraków 206
Nanjing 201
New York 188
Dong Ket 161
Vienna 149
Shanghai 123
Altamura 102
Ottawa 97
Lachine 96
Lawrence 91
San Diego 77
Beijing 68
Nanchang 57
Guangzhou 52
Shenyang 51
Boardman 50
Hebei 47
Fremont 41
Falls Church 36
Tianjin 36
Toronto 35
Romola 34
Brussels 32
Jiaxing 28
Los Angeles 27
Ningbo 26
Andover 25
Changsha 24
Edmonton 24
Norwalk 23
Jinan 22
Sacramento 22
Helsinki 21
Kunming 20
Jakarta 19
London 19
Zhengzhou 18
Huizen 17
Mountain View 17
Philadelphia 17
Pune 17
Hangzhou 15
Catania 13
San Mateo 13
Montréal 11
Taizhou 11
Washington 11
Auburn Hills 10
Kiev 10
Leawood 10
Tappahannock 10
Hefei 9
Monmouth Junction 9
Sesto San Giovanni 9
São Paulo 9
Brescia 8
Changchun 8
Grafing 8
Rome 8
Verona 8
Bologna 7
Chicago 7
Nürnberg 7
Paderno Dugnano 7
University Park 7
College Station 6
Dallas 6
Redmond 6
Asti 5
Belo Horizonte 5
Como 5
Coventry 5
Detroit 5
Durham 5
Florence 5
Lanzhou 5
Modena 5
Napoli 5
Oxford 5
Amsterdam 4
Auckland 4
Berlin 4
Totale 13.838
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Nome #
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo–Cu CO-dehydrogenases 367
Theoretical study of hydration of cyanamide and carbodiimide 362
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase 359
Tetrameric Silver (I) complex with bridging N-heterocyclic carbene ligands: [(iPrImAg(NO3)]4 346
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase 314
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen 306
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 289
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 278
Metal(loid)s role in the pathogenesis of amyotrophic lateral sclerosis: Environmental, epidemiological, and genetic data 273
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 270
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 255
Interaction of the H-cluster of FeFe hydrogenase with halides 244
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 240
Uncovering a Dynamically Formed Substrate Access Tunnel in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase 240
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 234
Disclosure of key stereoelectronic factors for efficient H2 binding and cleavage in the active site of [NiFe]-hydrogenases 229
Use of alternative methods: From fundamental to industrial research 225
DFT investigation of H-2 activation by [M(NHPnPr(3))(' S3 ')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional models 219
Impact of cadmium on intracellular zinc levels in HepG2 cells: Quantitative evaluations and molecular effects 216
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance 215
A theoretical study of spin states in Ni-S-4 complexes and models of the [NiFe] hydrogenase active site 212
Influence of the [2Fe]H subcluster environment on the properties of key intermediates in the catalytic cycle of [FeFe] hydrogenases: Hints for the rational design of synthetic catalysts 210
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 209
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 204
DFT investigation of the CO2 activation at the active site of the Carbon Monoxide Dehydrogenases 200
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 191
Combining experimental and theoretical methods to learn about the reactivity of gas-processing metalloenzymes 189
Asymmetric biomimetic oxidations of phenols using oxazolidines as chiral auxiliaries: The enantioselective synthesis of (+)- and (-)-dehydrodiconiferyl alcohol 188
Tailoring transition metal complexes for non linear optics applications - A theoretical investigation of the electronic structure of M(CO)(x)ClyL complexes (M = Cr, W, Re, Ru, Os, Rh, Ir; L = Pyz, PyzBF(3), BPE, BPEBF3) 187
Computational approaches to shed light on molecular mechanisms in biological processes 187
Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems 186
Dissecting the intimate mechanism of cyanation of {2Fe3S} complexes related to the active site of all-iron hydrogenases by DFT analysis of energetics, transition states, intermediates and products in the carbonyl substitution pathway 186
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 185
Distinct Lipid Transfer Proteins display different IgE-binding activities that are affected by fatty acid binding 184
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 183
Nitration of pollen aeroallergens by nitrate ion in conditions simulating the liquid water phase of atmospheric particles 183
Density functional theory investigation of the active site of [Fe]-hydrogenases: Effects of redox state and ligand characteristics on structural, electronic, and reactivity properties of complexes related to the [2Fe](H) subcluster 181
DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe]H subcluster of Fe-only hydrogenases 180
Synthesis of the H-cluster framework of iron-only hydrogenase 179
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 179
Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays 178
Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: An experimental and theoretical investigation 178
DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases 177
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 176
Asymmetric biomimetic oxidations of phenols: The mechanism of the diastereo- and enantioselective synthesis of thomasidioic acid 176
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 176
DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions 175
Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state 173
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 172
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: A theoretical perspective 172
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 171
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory 168
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster 168
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 165
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 164
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site 163
Podophyllotoxin and antitumor synthetic aryltetralines. Toward a biomimetic preparation 161
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases 159
'Measuring' electron delocalization in π-conjugated systems 158
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 156
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase 155
A new multivalent cluster: Synthesis, electrochemistry, solid state structure and computational studies on the iron-nickel mixed-metal nitride anions [Fe6Ni6N2 (CO)24]n- (n = 2-4) 153
Reaction products and mechanism of the regioselective oxidation of N-phenylmorpholine by ozone 152
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 151
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 150
Gas-phase reaction of phenol with NO3 147
A new FeMo complex as a model of heterobimetallic assemblies in natural systems: Mössbauer and density functional theory investigations 147
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 142
A DFT study of EPR parameters in Cu(II) complexes of the octarepeat region of the prion protein 138
Online Quantification of Criegee Intermediates of α-Pinene Ozonolysis by Stabilization with Spin Traps and Proton-Transfer Reaction Mass Spectrometry Detection 138
Photoinhibition of FeFe hydrogenase 138
Calcolo DFT di parametri EPR e NMR 137
Detection and identification of Criegee intermediates from the ozonolysis of biogenic and anthropogenic VOCs: Comparison between experimental measurements and theoretical calculations 136
Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings 135
A multitechnique investigation of the second order NLO response of a 10,20-diphenylporphyrinato nickel(II) complex carrying a phenylethynyl based push-pull system in the 5- and 15-positions 133
Il Piano Lauree Scientifiche – Area Chimica all’Università di Milano-Bicocca 133
Trans versus geminal electron delocalization in tetra- and diethynylethenes: A new method of analysis 132
Targeting Intermediates of [FeFe]-Hydrogenase by CO and CN Vibrational Signatures 130
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 130
Through versus cross electron delocalization in polytriacetylene oligomers: A computational analysis 125
DFT calculations of 57Fe Mössbauer parameters for [FeFe]-hydrogenases models 125
Synthesis, electronic characterisation and significant second-order non-linear optical responses of meso-tetraphenylporphyrins and their Zn-II complexes carrying a push or pull group in the beta pyrrolic position 124
Probing the Effects of One-Electron Reduction and Protonation on the Electronic Properties of the Fe-S Clusters in the Active-Ready Form of [FeFe]-Hydrogenases. A QM/MM Investigation 124
N-Aryl Lactams by Regioselective Ozonation of N-Aryl Cyclic Amines 124
Density functional theory investigation of the active site of Fe-hydrogenases. Systematic study of the effects of redox state and ligands hardness on structural and electronic properties of complexes related to the [2Fe](H) subcluster 122
The regiochemistry of the NO3-promoted gas phase nitration of toluene and phenol with NO2 119
DFT investigation of the Ni-A inactive state of the [NiFe]-hydrogenases: inactivation mechanism under aerobic conditions 119
Role of p53 in human hepatoma cells (HepG2) exposed to cadmium: in vitro and in silico approaches 118
Electrocatalytic dihydrogen evolution mechanism of [Fe-2(CO)(4)(kappa(2)-Ph2PCH2CH2PPh2)(mu-S(CH2)(3)S)] and related models of the [FeFe]-hydrogenases active site: a DFT investigation 118
Electronic characterisation and significant second-order NLO response of 10,20-diphenylporphyrins and their Zn-II complexes substituted in the meso position with pi-delocalised linkers carrying push or pull groups 117
Nitrogen dioxide effect on the allergenicity of the timothy grass pollen allergen Phl p 2: an immunochemical and computational study 116
Electron delocalization in linearly pi-conjugated systems: A concept for quantitative analysis 114
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 114
Mechanism of Fe-only hydrogenases studied by QM/MMn methods 114
DFT investigation of the stereoelectronic properties of the [NiFe]-hydrogenases: catalytic cycle and oxidation mechanism 112
Computational methods in the prediction of the atmospheric reactivity of aromatic compounds. 109
Functional effects on the TDDFT investigations in organometallic photochemistry 109
Influence of a large sigma-donor ligand on structural and catalytic properties of di-iron compounds related to the active site of Fe-hydrogenase - A DFT investigation 107
In-silico Modeling of [FeFe]-hydrogenase chemistry 107
Theoretical insights on H2 binding and splitting at [FeFe] and [NiFe] hydrogenase models: a dialogic perspective 106
Totale 17.790
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Categoria #
all - tutte 59.332
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 59.332
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.767 0 0 0 0 0 0 573 269 336 264 233 92
2020/20212.943 213 115 270 277 237 220 275 287 227 296 132 394
2021/20221.500 153 179 221 135 47 135 79 89 66 72 99 225
2022/20232.496 310 793 250 218 150 359 26 110 157 12 77 34
2023/20241.564 43 55 63 106 210 372 330 75 115 20 24 151
2024/20251.900 212 480 195 205 385 210 213 0 0 0 0 0
Totale 19.409