Bicocca Open Archive

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BRUSCHI, MAURIZIO
 Distribuzione geografica
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Continente #
NA - Nord America 15.460
AS - Asia 7.079
EU - Europa 6.472
SA - Sud America 1.058
AF - Africa 180
OC - Oceania 13
Continente sconosciuto - Info sul continente non disponibili 6
Totale 30.268
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Nazione #
US - Stati Uniti d'America 14.467
SG - Singapore 2.326
CN - Cina 1.687
IT - Italia 1.371
VN - Vietnam 985
HK - Hong Kong 977
CA - Canada 901
RU - Federazione Russa 865
BR - Brasile 819
SE - Svezia 770
DE - Germania 749
UA - Ucraina 570
IE - Irlanda 534
GB - Regno Unito 421
FR - Francia 295
IN - India 249
PL - Polonia 245
AT - Austria 162
BD - Bangladesh 146
FI - Finlandia 138
KR - Corea 116
TR - Turchia 114
DK - Danimarca 96
AR - Argentina 95
NL - Olanda 89
IQ - Iraq 72
ZA - Sudafrica 67
ID - Indonesia 65
ES - Italia 53
JP - Giappone 52
MX - Messico 47
PK - Pakistan 45
BE - Belgio 38
SA - Arabia Saudita 37
PH - Filippine 34
CO - Colombia 29
EC - Ecuador 29
UZ - Uzbekistan 27
MA - Marocco 26
PY - Paraguay 22
VE - Venezuela 22
CL - Cile 19
EG - Egitto 19
KE - Kenya 19
RO - Romania 16
TN - Tunisia 15
JM - Giamaica 12
JO - Giordania 12
CR - Costa Rica 11
IL - Israele 11
IR - Iran 11
OM - Oman 11
AE - Emirati Arabi Uniti 10
CH - Svizzera 10
AU - Australia 9
KZ - Kazakistan 9
TH - Thailandia 9
AZ - Azerbaigian 8
ET - Etiopia 8
PE - Perù 8
AL - Albania 7
DO - Repubblica Dominicana 7
LB - Libano 7
MY - Malesia 7
NP - Nepal 7
TW - Taiwan 7
UY - Uruguay 7
BO - Bolivia 6
CZ - Repubblica Ceca 6
LT - Lituania 6
BH - Bahrain 5
GR - Grecia 5
HN - Honduras 5
KW - Kuwait 5
PS - Palestinian Territory 5
QA - Qatar 5
BG - Bulgaria 4
DZ - Algeria 4
NZ - Nuova Zelanda 4
PT - Portogallo 4
SV - El Salvador 4
SY - Repubblica araba siriana 4
BN - Brunei Darussalam 3
EU - Europa 3
GE - Georgia 3
NG - Nigeria 3
RS - Serbia 3
SC - Seychelles 3
SK - Slovacchia (Repubblica Slovacca) 3
AO - Angola 2
BA - Bosnia-Erzegovina 2
BJ - Benin 2
BY - Bielorussia 2
CI - Costa d'Avorio 2
EE - Estonia 2
HU - Ungheria 2
KG - Kirghizistan 2
LK - Sri Lanka 2
LY - Libia 2
MD - Moldavia 2
Totale 30.243
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Città #
Ann Arbor 2.234
Ashburn 1.310
Singapore 1.280
Woodbridge 1.266
Hong Kong 962
Fairfield 892
Wilmington 864
San Jose 706
Toronto 614
Chandler 596
Jacksonville 593
Houston 552
Dublin 512
Milan 477
Frankfurt am Main 458
Dearborn 422
Santa Clara 360
Seattle 341
Cambridge 299
New York 259
Princeton 236
Los Angeles 233
Ho Chi Minh City 230
Kraków 206
Beijing 204
Nanjing 202
Chicago 188
The Dalles 181
Hanoi 168
Dong Ket 161
Vienna 153
Hefei 146
Shanghai 135
Seoul 108
Lauterbourg 106
Altamura 102
Dallas 98
Ottawa 98
Lachine 96
Lawrence 91
Buffalo 83
Council Bluffs 83
Moscow 80
San Diego 78
São Paulo 78
Boardman 75
Guangzhou 66
Nanchang 59
Shenyang 53
Hebei 47
Rome 47
Orem 42
Fremont 41
London 41
Tianjin 39
Falls Church 36
Munich 35
Da Nang 34
Jakarta 34
Romola 34
Changsha 33
Chennai 33
Brussels 32
Helsinki 32
Warsaw 31
Brooklyn 29
Jiaxing 29
Tokyo 29
Haiphong 28
Jinan 28
Johannesburg 28
Montreal 26
Ningbo 26
Philadelphia 26
Andover 25
Kent 25
Baghdad 24
Edmonton 24
Atlanta 23
Norwalk 23
Phoenix 23
Pune 22
Rio de Janeiro 22
Sacramento 22
Tashkent 22
Denver 21
San Francisco 21
Zhengzhou 21
Kunming 20
Dhaka 19
Manchester 19
Amsterdam 18
Hangzhou 18
Huizen 17
Mountain View 17
Washington 17
Buenos Aires 16
Nairobi 16
Turin 16
Boston 15
Totale 20.160
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Nome #
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase 533
Theoretical study of hydration of cyanamide and carbodiimide 514
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo–Cu CO-dehydrogenases 506
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 498
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase 481
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 461
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen 447
Tetrameric Silver (I) complex with bridging N-heterocyclic carbene ligands: [(iPrImAg(NO3)]4 431
Metal(loid)s role in the pathogenesis of amyotrophic lateral sclerosis: Environmental, epidemiological, and genetic data 424
Use of alternative methods: From fundamental to industrial research 401
Interaction of the H-cluster of FeFe hydrogenase with halides 399
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 398
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 382
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 372
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 364
DFT investigation of the CO2 activation at the active site of the Carbon Monoxide Dehydrogenases 362
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance 353
Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems 344
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 343
Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: An experimental and theoretical investigation 334
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 331
Impact of cadmium on intracellular zinc levels in HepG2 cells: Quantitative evaluations and molecular effects 326
Disclosure of key stereoelectronic factors for efficient H2 binding and cleavage in the active site of [NiFe]-hydrogenases 325
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory 324
Asymmetric biomimetic oxidations of phenols using oxazolidines as chiral auxiliaries: The enantioselective synthesis of (+)- and (-)-dehydrodiconiferyl alcohol 320
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 319
Uncovering a Dynamically Formed Substrate Access Tunnel in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase 318
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 309
Asymmetric biomimetic oxidations of phenols: The mechanism of the diastereo- and enantioselective synthesis of thomasidioic acid 308
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 304
Nitration of pollen aeroallergens by nitrate ion in conditions simulating the liquid water phase of atmospheric particles 302
Distinct Lipid Transfer Proteins display different IgE-binding activities that are affected by fatty acid binding 301
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 299
A theoretical study of spin states in Ni-S-4 complexes and models of the [NiFe] hydrogenase active site 298
Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays 290
Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state 289
Podophyllotoxin and antitumor synthetic aryltetralines. Toward a biomimetic preparation 287
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster 283
DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions 283
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 282
Detection and identification of Criegee intermediates from the ozonolysis of biogenic and anthropogenic VOCs: Comparison between experimental measurements and theoretical calculations 282
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 280
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 275
DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases 275
Synthesis of the H-cluster framework of iron-only hydrogenase 273
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) 272
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 272
Photoinhibition of FeFe hydrogenase 271
Computational approaches to shed light on molecular mechanisms in biological processes 269
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 267
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 266
DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe]H subcluster of Fe-only hydrogenases 266
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 266
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases 265
Combining experimental and theoretical methods to learn about the reactivity of gas-processing metalloenzymes 265
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 261
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 256
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 252
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) 247
FeMo Heterobimetallic Dithiolate Complexes: Investigation of Their Electron Transfer Chemistry and Reactivity toward Acids, a Density Functional Theory Rationalization 244
Gas-phase reaction of phenol with NO3 243
The regiochemistry of the NO3-promoted gas phase nitration of toluene and phenol with NO2 242
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) 240
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 240
DFT investigation of the stereoelectronic properties of the [NiFe]-hydrogenases: catalytic cycle and oxidation mechanism 240
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 238
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: A theoretical perspective 236
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 233
DFT investigation of the Ni-A inactive state of the [NiFe]-hydrogenases: inactivation mechanism under aerobic conditions 232
Calcolo DFT di parametri EPR e NMR 230
'Measuring' electron delocalization in π-conjugated systems 227
Role of p53 in human hepatoma cells (HepG2) exposed to cadmium: in vitro and in silico approaches 227
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 227
A DFT study of EPR parameters in Cu(II) complexes of the octarepeat region of the prion protein 226
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site 223
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 223
N-Aryl Lactams by Regioselective Ozonation of N-Aryl Cyclic Amines 223
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 219
In-silico Modeling of [FeFe]-hydrogenase chemistry 218
Nitrogen dioxide effect on the allergenicity of the timothy grass pollen allergen Phl p 2: an immunochemical and computational study 215
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 214
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase 214
Reaction products and mechanism of the regioselective oxidation of N-phenylmorpholine by ozone 214
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 213
A new FeMo complex as a model of heterobimetallic assemblies in natural systems: Mössbauer and density functional theory investigations 212
Targeting Intermediates of [FeFe]-Hydrogenase by CO and CN Vibrational Signatures 209
Trans versus geminal electron delocalization in tetra- and diethynylethenes: A new method of analysis 206
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 206
Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings 205
Il Piano Lauree Scientifiche – Area Chimica all’Università di Milano-Bicocca 198
Through versus cross electron delocalization in polytriacetylene oligomers: A computational analysis 192
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 191
DFT calculations of 57Fe Mössbauer parameters for [FeFe]-hydrogenases models 191
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 189
Online Quantification of Criegee Intermediates of α-Pinene Ozonolysis by Stabilization with Spin Traps and Proton-Transfer Reaction Mass Spectrometry Detection 187
Tailoring transition metal complexes for nonlinear optics applications. 2. A theoretical investigation of the second-order nonlinear optical properties of M(CO)5L Complexes (M = Cr, W; L = Py, PyCHO, Pyz, PyzBF3, BPE, BPEBF3) 185
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 181
Computational methods in the prediction of the atmospheric reactivity of aromatic compounds. 181
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 179
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 175
Totale 28.313
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Categoria #
all - tutte 93.115
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 93.115
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021394 0 0 0 0 0 0 0 0 0 0 0 394
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
2025/20269.507 858 503 638 989 1.113 487 1.506 445 816 781 798 573
Totale 31.058