Bicocca Open Archive

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BRUSCHI, MAURIZIO
 Distribuzione geografica
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Continente #
NA - Nord America 17.838
AS - Asia 7.157
EU - Europa 6.667
SA - Sud America 1.089
Continente sconosciuto - Info sul continente non disponibili 803
AF - Africa 183
OC - Oceania 14
Totale 33.751
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Nazione #
US - Stati Uniti d'America 16.693
SG - Singapore 2.341
CN - Cina 1.705
IT - Italia 1.525
VN - Vietnam 992
HK - Hong Kong 981
CA - Canada 963
RU - Federazione Russa 867
BR - Brasile 829
SE - Svezia 770
DE - Germania 754
UA - Ucraina 570
IE - Irlanda 534
GB - Regno Unito 439
FR - Francia 303
IN - India 251
PL - Polonia 246
AT - Austria 162
BD - Bangladesh 157
FI - Finlandia 138
KR - Corea 116
TR - Turchia 115
AR - Argentina 98
DK - Danimarca 96
NL - Olanda 90
IQ - Iraq 72
ID - Indonesia 69
ZA - Sudafrica 67
JP - Giappone 55
ES - Italia 54
MX - Messico 50
PK - Pakistan 46
BE - Belgio 38
SA - Arabia Saudita 37
CO - Colombia 36
PH - Filippine 36
EC - Ecuador 32
CR - Costa Rica 29
VE - Venezuela 29
UZ - Uzbekistan 27
MA - Marocco 26
PY - Paraguay 22
CL - Cile 20
EG - Egitto 19
JM - Giamaica 19
KE - Kenya 19
RO - Romania 16
TN - Tunisia 15
TT - Trinidad e Tobago 15
HN - Honduras 14
IL - Israele 14
JO - Giordania 12
IR - Iran 11
OM - Oman 11
AE - Emirati Arabi Uniti 10
AU - Australia 10
CH - Svizzera 10
GT - Guatemala 10
KZ - Kazakistan 10
MY - Malesia 10
SV - El Salvador 10
TH - Thailandia 10
AZ - Azerbaigian 9
NI - Nicaragua 9
CW - ???statistics.table.value.countryCode.CW??? 8
ET - Etiopia 8
PE - Perù 8
PR - Porto Rico 8
AL - Albania 7
CZ - Repubblica Ceca 7
DO - Repubblica Dominicana 7
LB - Libano 7
NP - Nepal 7
TW - Taiwan 7
UY - Uruguay 7
BO - Bolivia 6
LT - Lituania 6
BH - Bahrain 5
EE - Estonia 5
GR - Grecia 5
KW - Kuwait 5
PS - Palestinian Territory 5
QA - Qatar 5
BG - Bulgaria 4
DZ - Algeria 4
NZ - Nuova Zelanda 4
PT - Portogallo 4
RS - Serbia 4
SC - Seychelles 4
SY - Repubblica araba siriana 4
BN - Brunei Darussalam 3
EU - Europa 3
GE - Georgia 3
NG - Nigeria 3
SK - Slovacchia (Repubblica Slovacca) 3
AO - Angola 2
BA - Bosnia-Erzegovina 2
BB - Barbados 2
BJ - Benin 2
BS - Bahamas 2
Totale 32.919
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Città #
Ann Arbor 2.234
Ashburn 1.764
Singapore 1.282
Woodbridge 1.267
Hong Kong 966
Fairfield 892
Wilmington 866
San Jose 838
Toronto 622
Jacksonville 599
Chandler 597
Houston 564
Milan 532
Dublin 512
Frankfurt am Main 458
Council Bluffs 457
Dearborn 422
Santa Clara 389
Seattle 346
Cambridge 302
New York 268
Los Angeles 242
Princeton 236
Ho Chi Minh City 230
Kraków 206
Beijing 204
Chicago 202
Nanjing 202
The Dalles 182
Hanoi 173
Dong Ket 161
Vienna 153
Hefei 146
Shanghai 138
Dallas 115
Seoul 108
Lauterbourg 106
Altamura 102
Ottawa 98
Lachine 96
Lawrence 91
Buffalo 88
Moscow 80
São Paulo 80
San Diego 78
Boardman 76
Rome 73
Guangzhou 66
Nanchang 59
Shenyang 53
Columbus 50
Hebei 47
Orem 44
Washington 44
Fremont 42
London 41
Tianjin 39
Brooklyn 38
Falls Church 36
Philadelphia 36
Munich 35
Da Nang 34
Jakarta 34
Romola 34
Changsha 33
Chennai 33
Montreal 33
Phoenix 33
Brussels 32
Helsinki 32
Warsaw 32
Atlanta 31
Tokyo 31
Haiphong 29
Jiaxing 29
Jinan 28
Johannesburg 28
Denver 27
Ningbo 26
Andover 25
Kent 25
Sacramento 25
Baghdad 24
Edmonton 24
Norwalk 23
Pune 23
Rio de Janeiro 22
San Francisco 22
San José 22
Tashkent 22
Turin 21
Zhengzhou 21
Dhaka 20
Kunming 20
Hangzhou 19
Manchester 19
Amsterdam 18
Boston 18
Bologna 17
Huizen 17
Totale 21.479
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Nome #
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase 565
Theoretical study of hydration of cyanamide and carbodiimide 540
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo–Cu CO-dehydrogenases 533
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 525
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase 507
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 495
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen 474
Metal(loid)s role in the pathogenesis of amyotrophic lateral sclerosis: Environmental, epidemiological, and genetic data 461
Tetrameric Silver (I) complex with bridging N-heterocyclic carbene ligands: [(iPrImAg(NO3)]4 449
Interaction of the H-cluster of FeFe hydrogenase with halides 426
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 422
Use of alternative methods: From fundamental to industrial research 417
DFT investigation of the CO2 activation at the active site of the Carbon Monoxide Dehydrogenases 415
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 415
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 412
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 395
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 370
Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems 370
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance 370
Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: An experimental and theoretical investigation 360
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 355
Impact of cadmium on intracellular zinc levels in HepG2 cells: Quantitative evaluations and molecular effects 353
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 351
Disclosure of key stereoelectronic factors for efficient H2 binding and cleavage in the active site of [NiFe]-hydrogenases 350
Asymmetric biomimetic oxidations of phenols using oxazolidines as chiral auxiliaries: The enantioselective synthesis of (+)- and (-)-dehydrodiconiferyl alcohol 348
Asymmetric biomimetic oxidations of phenols: The mechanism of the diastereo- and enantioselective synthesis of thomasidioic acid 348
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory 345
Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays 340
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 337
Uncovering a Dynamically Formed Substrate Access Tunnel in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase 337
Nitration of pollen aeroallergens by nitrate ion in conditions simulating the liquid water phase of atmospheric particles 330
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 324
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 323
DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions 320
Distinct Lipid Transfer Proteins display different IgE-binding activities that are affected by fatty acid binding 317
A theoretical study of spin states in Ni-S-4 complexes and models of the [NiFe] hydrogenase active site 316
Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state 314
Detection and identification of Criegee intermediates from the ozonolysis of biogenic and anthropogenic VOCs: Comparison between experimental measurements and theoretical calculations 310
Podophyllotoxin and antitumor synthetic aryltetralines. Toward a biomimetic preparation 307
Synthesis of the H-cluster framework of iron-only hydrogenase 304
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 303
DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases 298
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 297
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster 296
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 295
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 294
Photoinhibition of FeFe hydrogenase 294
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 293
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 289
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) 287
Computational approaches to shed light on molecular mechanisms in biological processes 287
Combining experimental and theoretical methods to learn about the reactivity of gas-processing metalloenzymes 287
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 287
DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe]H subcluster of Fe-only hydrogenases 286
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases 283
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 282
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 276
The regiochemistry of the NO3-promoted gas phase nitration of toluene and phenol with NO2 275
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 274
Gas-phase reaction of phenol with NO3 270
FeMo Heterobimetallic Dithiolate Complexes: Investigation of Their Electron Transfer Chemistry and Reactivity toward Acids, a Density Functional Theory Rationalization 266
DFT investigation of the stereoelectronic properties of the [NiFe]-hydrogenases: catalytic cycle and oxidation mechanism 265
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) 265
Calcolo DFT di parametri EPR e NMR 264
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) 262
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 262
Role of p53 in human hepatoma cells (HepG2) exposed to cadmium: in vitro and in silico approaches 259
DFT investigation of the Ni-A inactive state of the [NiFe]-hydrogenases: inactivation mechanism under aerobic conditions 259
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 256
'Measuring' electron delocalization in π-conjugated systems 253
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 249
A DFT study of EPR parameters in Cu(II) complexes of the octarepeat region of the prion protein 247
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 247
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 246
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: A theoretical perspective 245
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 242
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site 241
N-Aryl Lactams by Regioselective Ozonation of N-Aryl Cyclic Amines 241
In-silico Modeling of [FeFe]-hydrogenase chemistry 235
Reaction products and mechanism of the regioselective oxidation of N-phenylmorpholine by ozone 234
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 232
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 232
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 231
Targeting Intermediates of [FeFe]-Hydrogenase by CO and CN Vibrational Signatures 229
A new FeMo complex as a model of heterobimetallic assemblies in natural systems: Mössbauer and density functional theory investigations 229
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase 229
Nitrogen dioxide effect on the allergenicity of the timothy grass pollen allergen Phl p 2: an immunochemical and computational study 229
Trans versus geminal electron delocalization in tetra- and diethynylethenes: A new method of analysis 221
Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings 218
Il Piano Lauree Scientifiche – Area Chimica all’Università di Milano-Bicocca 217
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) 213
Computational methods in the prediction of the atmospheric reactivity of aromatic compounds. 212
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 211
Through versus cross electron delocalization in polytriacetylene oligomers: A computational analysis 210
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 208
Kinetics and calculations in the NO3-promoted gas phase nitration of phenol with NO2 205
DFT calculations of 57Fe Mössbauer parameters for [FeFe]-hydrogenases models 205
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 203
Online Quantification of Criegee Intermediates of α-Pinene Ozonolysis by Stabilization with Spin Traps and Proton-Transfer Reaction Mass Spectrometry Detection 199
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 196
Totale 30.670
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Categoria #
all - tutte 102.113
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 102.113
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/2022947 0 0 0 135 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
2025/20269.613 858 503 638 989 1.113 487 1.506 445 816 781 798 679
2026/20272.587 165 410 954 1.058 0 0 0 0 0 0 0 0
Totale 33.751