Bicocca Open Archive

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BRUSCHI, MAURIZIO
 Distribuzione geografica
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Continente #
NA - Nord America 13.143
EU - Europa 5.846
AS - Asia 5.414
SA - Sud America 863
AF - Africa 96
OC - Oceania 10
Continente sconosciuto - Info sul continente non disponibili 5
Totale 25.377
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Nazione #
US - Stati Uniti d'America 12.777
SG - Singapore 1.933
CN - Cina 1.552
IT - Italia 998
HK - Hong Kong 887
RU - Federazione Russa 853
SE - Svezia 769
DE - Germania 730
BR - Brasile 706
UA - Ucraina 564
IE - Irlanda 529
VN - Vietnam 487
GB - Regno Unito 390
CA - Canada 310
PL - Polonia 239
FR - Francia 188
AT - Austria 160
IN - India 139
FI - Finlandia 128
DK - Danimarca 96
KR - Corea 80
NL - Olanda 79
TR - Turchia 76
AR - Argentina 69
BD - Bangladesh 54
ZA - Sudafrica 46
ID - Indonesia 40
ES - Italia 39
JP - Giappone 39
BE - Belgio 36
MX - Messico 33
EC - Ecuador 23
IQ - Iraq 23
CO - Colombia 17
MA - Marocco 16
PY - Paraguay 14
RO - Romania 13
CL - Cile 12
VE - Venezuela 12
IR - Iran 11
SA - Arabia Saudita 11
PK - Pakistan 10
EG - Egitto 9
IL - Israele 9
KE - Kenya 9
AE - Emirati Arabi Uniti 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
AZ - Azerbaigian 2
BA - Bosnia-Erzegovina 2
BO - Bolivia 2
BY - Bielorussia 2
DZ - Algeria 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
BB - Barbados 1
BJ - Benin 1
BN - Brunei Darussalam 1
CI - Costa d'Avorio 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 25.370
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Città #
Ann Arbor 2.234
Woodbridge 1.266
Singapore 1.073
Ashburn 1.000
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
Beijing 186
Los Angeles 186
Dong Ket 161
Vienna 151
Hefei 145
Shanghai 132
Altamura 102
Ottawa 97
Lachine 96
Dallas 91
Lawrence 91
The Dalles 89
Ho Chi Minh City 80
Moscow 80
San Diego 78
Seoul 77
Buffalo 74
São Paulo 67
Chicago 65
Guangzhou 65
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
Johannesburg 18
Montreal 18
Denver 17
Huizen 17
Mountain View 17
San Jose 17
Hangzhou 16
Atlanta 14
Boston 14
Manchester 14
San Francisco 14
Catania 13
Curitiba 13
San Mateo 13
Belo Horizonte 12
Buenos Aires 12
Poplar 12
Rome 12
Taizhou 12
Campinas 11
Montréal 11
Nuremberg 11
Salt Lake City 11
Totale 17.098
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Nome #
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase 486
Theoretical study of hydration of cyanamide and carbodiimide 464
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
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 412
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase 411
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 358
Metal(loid)s role in the pathogenesis of amyotrophic lateral sclerosis: Environmental, epidemiological, and genetic data 355
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 336
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 319
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 313
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 301
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance 300
DFT investigation of the CO2 activation at the active site of the Carbon Monoxide Dehydrogenases 299
Uncovering a Dynamically Formed Substrate Access Tunnel in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase 291
Disclosure of key stereoelectronic factors for efficient H2 binding and cleavage in the active site of [NiFe]-hydrogenases 290
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 281
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 276
Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems 274
Distinct Lipid Transfer Proteins display different IgE-binding activities that are affected by fatty acid binding 274
Asymmetric biomimetic oxidations of phenols: The mechanism of the diastereo- and enantioselective synthesis of thomasidioic acid 265
A theoretical study of spin states in Ni-S-4 complexes and models of the [NiFe] hydrogenase active site 263
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory 262
Asymmetric biomimetic oxidations of phenols using oxazolidines as chiral auxiliaries: The enantioselective synthesis of (+)- and (-)-dehydrodiconiferyl alcohol 261
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 259
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 258
Nitration of pollen aeroallergens by nitrate ion in conditions simulating the liquid water phase of atmospheric particles 257
Podophyllotoxin and antitumor synthetic aryltetralines. Toward a biomimetic preparation 254
DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions 247
Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays 241
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 240
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 240
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 238
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 238
Computational approaches to shed light on molecular mechanisms in biological processes 235
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 234
Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state 234
Detection and identification of Criegee intermediates from the ozonolysis of biogenic and anthropogenic VOCs: Comparison between experimental measurements and theoretical calculations 233
Synthesis of the H-cluster framework of iron-only hydrogenase 232
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
DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe]H subcluster of Fe-only hydrogenases 229
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 228
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 227
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 226
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 224
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 222
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 220
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases 219
Photoinhibition of FeFe hydrogenase 216
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 200
Gas-phase reaction of phenol with NO3 200
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) 195
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
Reaction products and mechanism of the regioselective oxidation of N-phenylmorpholine by ozone 194
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) 193
The regiochemistry of the NO3-promoted gas phase nitration of toluene and phenol with NO2 190
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 189
A new FeMo complex as a model of heterobimetallic assemblies in natural systems: Mössbauer and density functional theory investigations 187
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 183
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
A DFT study of EPR parameters in Cu(II) complexes of the octarepeat region of the prion protein 181
N-Aryl Lactams by Regioselective Ozonation of N-Aryl Cyclic Amines 181
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
Role of p53 in human hepatoma cells (HepG2) exposed to cadmium: in vitro and in silico approaches 180
Calcolo DFT di parametri EPR e NMR 180
Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings 177
Nitrogen dioxide effect on the allergenicity of the timothy grass pollen allergen Phl p 2: an immunochemical and computational study 177
DFT investigation of the stereoelectronic properties of the [NiFe]-hydrogenases: catalytic cycle and oxidation mechanism 177
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 173
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 172
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
Through versus cross electron delocalization in polytriacetylene oligomers: A computational analysis 157
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
DFT calculations of 57Fe Mössbauer parameters for [FeFe]-hydrogenases models 155
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 154
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 148
Computational methods in the prediction of the atmospheric reactivity of aromatic compounds. 147
Totale 23.962
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Categoria #
all - tutte 82.010
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 82.010
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/20211.611 0 0 0 0 0 0 275 287 227 296 132 394
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
2025/20264.616 858 503 638 989 1.113 487 28 0 0 0 0 0
Totale 26.167