Bicocca Open Archive

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BRUSCHI, MAURIZIO
 Distribuzione geografica
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Continente #
NA - Nord America 13.136
EU - Europa 5.842
AS - Asia 5.338
SA - Sud America 856
AF - Africa 93
OC - Oceania 10
Continente sconosciuto - Info sul continente non disponibili 5
Totale 25.280
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Nazione #
US - Stati Uniti d'America 12.771
SG - Singapore 1.870
CN - Cina 1.546
IT - Italia 997
HK - Hong Kong 887
RU - Federazione Russa 853
SE - Svezia 769
DE - Germania 730
BR - Brasile 703
UA - Ucraina 564
IE - Irlanda 529
VN - Vietnam 486
GB - Regno Unito 389
CA - Canada 310
PL - Polonia 239
FR - Francia 188
AT - Austria 160
IN - India 139
FI - Finlandia 126
DK - Danimarca 96
KR - Corea 80
NL - Olanda 79
TR - Turchia 76
AR - Argentina 68
BD - Bangladesh 53
ZA - Sudafrica 45
ID - Indonesia 40
ES - Italia 39
JP - Giappone 39
BE - Belgio 36
MX - Messico 32
EC - Ecuador 21
IQ - Iraq 21
CO - Colombia 17
MA - Marocco 15
PY - Paraguay 14
RO - Romania 13
VE - Venezuela 12
CL - Cile 11
IR - Iran 11
SA - Arabia Saudita 11
EG - Egitto 9
IL - Israele 9
KE - Kenya 9
AE - Emirati Arabi Uniti 8
PK - Pakistan 8
UZ - Uzbekistan 8
AU - Australia 6
CH - Svizzera 6
JO - Giordania 6
JM - Giamaica 5
LB - Libano 5
TW - Taiwan 5
BG - Bulgaria 4
BH - Bahrain 4
CZ - Repubblica Ceca 4
DO - Repubblica Dominicana 4
HN - Honduras 4
LT - Lituania 4
NZ - Nuova Zelanda 4
PE - Perù 4
UY - Uruguay 4
CR - Costa Rica 3
EU - Europa 3
KZ - Kazakistan 3
NP - Nepal 3
OM - Oman 3
PS - Palestinian Territory 3
PT - Portogallo 3
SC - Seychelles 3
TH - Thailandia 3
AL - Albania 2
BA - Bosnia-Erzegovina 2
BO - Bolivia 2
BY - Bielorussia 2
ET - Etiopia 2
LK - Sri Lanka 2
NI - Nicaragua 2
QA - Qatar 2
SK - Slovacchia (Repubblica Slovacca) 2
SV - El Salvador 2
TN - Tunisia 2
TT - Trinidad e Tobago 2
A1 - Anonimo 1
A2 - ???statistics.table.value.countryCode.A2??? 1
AF - Afghanistan, Repubblica islamica di 1
AZ - Azerbaigian 1
BB - Barbados 1
BJ - Benin 1
BN - Brunei Darussalam 1
CI - Costa d'Avorio 1
DZ - Algeria 1
EE - Estonia 1
GR - Grecia 1
HU - Ungheria 1
KG - Kirghizistan 1
KW - Kuwait 1
LY - Libia 1
MD - Moldavia 1
ML - Mali 1
Totale 25.273
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Città #
Ann Arbor 2.234
Woodbridge 1.266
Singapore 1.041
Ashburn 999
Fairfield 892
Hong Kong 885
Wilmington 864
Chandler 596
Jacksonville 592
Houston 552
Dublin 507
Frankfurt am Main 444
Dearborn 422
Milan 344
Santa Clara 343
Seattle 340
Cambridge 299
New York 241
Princeton 236
Kraków 206
Nanjing 201
Los Angeles 186
Beijing 184
Dong Ket 161
Vienna 151
Hefei 145
Shanghai 132
Altamura 102
Ottawa 97
Lachine 96
Dallas 91
Lawrence 91
The Dalles 89
Moscow 80
Ho Chi Minh City 79
San Diego 78
Seoul 77
Buffalo 74
São Paulo 67
Guangzhou 65
Chicago 64
Council Bluffs 61
Nanchang 59
Shenyang 52
Boardman 50
Hebei 47
Hanoi 45
Fremont 41
Toronto 41
Tianjin 39
London 37
Falls Church 36
Munich 34
Romola 34
Brussels 32
Changsha 31
Jakarta 30
Jiaxing 29
Warsaw 28
Jinan 26
Ningbo 26
Tokyo 26
Andover 25
Kent 25
Brooklyn 24
Edmonton 24
Philadelphia 24
Norwalk 23
Helsinki 22
Sacramento 22
Zhengzhou 21
Kunming 20
Chennai 19
Orem 19
Phoenix 19
Pune 19
Rio de Janeiro 19
Montreal 18
Denver 17
Huizen 17
Johannesburg 17
Mountain View 17
Hangzhou 16
Atlanta 14
Boston 14
Manchester 14
San Francisco 14
San Jose 14
Catania 13
Curitiba 13
San Mateo 13
Belo Horizonte 12
Poplar 12
Rome 12
Taizhou 12
Buenos Aires 11
Campinas 11
Montréal 11
Nuremberg 11
Salt Lake City 11
Totale 17.056
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Nome #
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase 484
Theoretical study of hydration of cyanamide and carbodiimide 462
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo–Cu CO-dehydrogenases 448
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase 411
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 410
Tetrameric Silver (I) complex with bridging N-heterocyclic carbene ligands: [(iPrImAg(NO3)]4 406
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen 384
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 381
Use of alternative methods: From fundamental to industrial research 355
Metal(loid)s role in the pathogenesis of amyotrophic lateral sclerosis: Environmental, epidemiological, and genetic data 354
Interaction of the H-cluster of FeFe hydrogenase with halides 344
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 335
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 319
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 318
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 312
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance 299
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 298
DFT investigation of the CO2 activation at the active site of the Carbon Monoxide Dehydrogenases 297
Uncovering a Dynamically Formed Substrate Access Tunnel in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase 290
Disclosure of key stereoelectronic factors for efficient H2 binding and cleavage in the active site of [NiFe]-hydrogenases 289
Impact of cadmium on intracellular zinc levels in HepG2 cells: Quantitative evaluations and molecular effects 288
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 280
Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: An experimental and theoretical investigation 278
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 274
Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems 273
Distinct Lipid Transfer Proteins display different IgE-binding activities that are affected by fatty acid binding 273
Asymmetric biomimetic oxidations of phenols: The mechanism of the diastereo- and enantioselective synthesis of thomasidioic acid 263
A theoretical study of spin states in Ni-S-4 complexes and models of the [NiFe] hydrogenase active site 262
Asymmetric biomimetic oxidations of phenols using oxazolidines as chiral auxiliaries: The enantioselective synthesis of (+)- and (-)-dehydrodiconiferyl alcohol 260
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory 259
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 258
Nitration of pollen aeroallergens by nitrate ion in conditions simulating the liquid water phase of atmospheric particles 256
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 255
Podophyllotoxin and antitumor synthetic aryltetralines. Toward a biomimetic preparation 253
DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions 244
Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays 240
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 239
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 239
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster 239
Combining experimental and theoretical methods to learn about the reactivity of gas-processing metalloenzymes 237
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 237
Computational approaches to shed light on molecular mechanisms in biological processes 234
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 234
Detection and identification of Criegee intermediates from the ozonolysis of biogenic and anthropogenic VOCs: Comparison between experimental measurements and theoretical calculations 233
Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state 232
Synthesis of the H-cluster framework of iron-only hydrogenase 231
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) 231
DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases 230
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 227
DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe]H subcluster of Fe-only hydrogenases 227
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 226
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 225
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 223
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 220
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 219
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 219
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases 218
Photoinhibition of FeFe hydrogenase 215
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: A theoretical perspective 204
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 202
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 199
Gas-phase reaction of phenol with NO3 196
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site 195
'Measuring' electron delocalization in π-conjugated systems 195
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) 194
Reaction products and mechanism of the regioselective oxidation of N-phenylmorpholine by ozone 193
Author Correction: The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster (Nature Chemistry, (2014), 6, 4, (336-342), 10.1038/nchem.1892) 191
The regiochemistry of the NO3-promoted gas phase nitration of toluene and phenol with NO2 189
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 189
FeMo Heterobimetallic Dithiolate Complexes: Investigation of Their Electron Transfer Chemistry and Reactivity toward Acids, a Density Functional Theory Rationalization 188
A new FeMo complex as a model of heterobimetallic assemblies in natural systems: Mössbauer and density functional theory investigations 186
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 182
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 182
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase 182
DFT investigation of the Ni-A inactive state of the [NiFe]-hydrogenases: inactivation mechanism under aerobic conditions 181
Trans versus geminal electron delocalization in tetra- and diethynylethenes: A new method of analysis 180
N-Aryl Lactams by Regioselective Ozonation of N-Aryl Cyclic Amines 180
Calcolo DFT di parametri EPR e NMR 180
A DFT study of EPR parameters in Cu(II) complexes of the octarepeat region of the prion protein 179
Role of p53 in human hepatoma cells (HepG2) exposed to cadmium: in vitro and in silico approaches 179
DFT investigation of the stereoelectronic properties of the [NiFe]-hydrogenases: catalytic cycle and oxidation mechanism 177
Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings 176
Nitrogen dioxide effect on the allergenicity of the timothy grass pollen allergen Phl p 2: an immunochemical and computational study 176
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 174
In-silico Modeling of [FeFe]-hydrogenase chemistry 174
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 174
Targeting Intermediates of [FeFe]-Hydrogenase by CO and CN Vibrational Signatures 172
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 170
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 169
Il Piano Lauree Scientifiche – Area Chimica all’Università di Milano-Bicocca 168
Online Quantification of Criegee Intermediates of α-Pinene Ozonolysis by Stabilization with Spin Traps and Proton-Transfer Reaction Mass Spectrometry Detection 165
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 162
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 157
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 157
Through versus cross electron delocalization in polytriacetylene oligomers: A computational analysis 156
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 153
DFT calculations of 57Fe Mössbauer parameters for [FeFe]-hydrogenases models 153
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 152
Electron delocalization in linearly pi-conjugated systems: A concept for quantitative analysis 147
Computational methods in the prediction of the atmospheric reactivity of aromatic compounds. 146
Totale 23.871
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Categoria #
all - tutte 81.232
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 81.232
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/20211.831 0 0 0 0 0 220 275 287 227 296 132 394
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
2024/20254.042 212 480 195 205 385 210 268 216 350 595 309 617
2025/20264.519 858 503 638 989 1.113 418 0 0 0 0 0 0
Totale 26.070