Bicocca Open Archive

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BRUSCHI, MAURIZIO
 Distribuzione geografica
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Continente #
NA - Nord America 14.583
AS - Asia 7.048
EU - Europa 6.124
SA - Sud America 1.058
AF - Africa 180
OC - Oceania 13
Continente sconosciuto - Info sul continente non disponibili 6
Totale 29.012
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Nazione #
US - Stati Uniti d'America 14.171
SG - Singapore 2.325
CN - Cina 1.685
IT - Italia 1.030
VN - Vietnam 985
HK - Hong Kong 977
RU - Federazione Russa 865
BR - Brasile 819
SE - Svezia 770
DE - Germania 749
UA - Ucraina 570
IE - Irlanda 534
GB - Regno Unito 421
CA - Canada 325
FR - Francia 295
IN - India 249
PL - Polonia 241
AT - Austria 162
FI - Finlandia 138
BD - Bangladesh 119
KR - Corea 116
TR - Turchia 114
DK - Danimarca 96
AR - Argentina 95
NL - Olanda 88
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 33
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
IL - Israele 11
IR - Iran 11
OM - Oman 11
AE - Emirati Arabi Uniti 10
AU - Australia 9
KZ - Kazakistan 9
TH - Thailandia 9
AZ - Azerbaigian 8
CH - Svizzera 8
CR - Costa Rica 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
KW - Kuwait 5
PS - Palestinian Territory 5
QA - Qatar 5
BG - Bulgaria 4
DZ - Algeria 4
HN - Honduras 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 28.988
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Città #
Ann Arbor 2.234
Singapore 1.280
Ashburn 1.275
Woodbridge 1.266
Hong Kong 962
Fairfield 892
Wilmington 864
San Jose 634
Chandler 596
Jacksonville 593
Houston 552
Dublin 512
Frankfurt am Main 458
Dearborn 422
Milan 354
Santa Clara 352
Seattle 341
Cambridge 299
New York 252
Princeton 236
Ho Chi Minh City 230
Los Angeles 226
Kraków 206
Beijing 204
Nanjing 202
Chicago 184
The Dalles 179
Hanoi 168
Dong Ket 161
Vienna 153
Hefei 146
Shanghai 135
Seoul 108
Lauterbourg 106
Altamura 102
Ottawa 98
Lachine 96
Dallas 95
Lawrence 91
Buffalo 81
Moscow 80
San Diego 78
São Paulo 78
Council Bluffs 68
Guangzhou 66
Nanchang 59
Shenyang 53
Boardman 50
Hebei 47
Toronto 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 30
Jiaxing 29
Tokyo 29
Haiphong 28
Jinan 28
Johannesburg 28
Brooklyn 27
Ningbo 26
Andover 25
Kent 25
Baghdad 24
Edmonton 24
Philadelphia 24
Norwalk 23
Montreal 22
Phoenix 22
Pune 22
Rio de Janeiro 22
Sacramento 22
Tashkent 22
Denver 21
Zhengzhou 21
Atlanta 20
Kunming 20
Dhaka 19
Manchester 19
San Francisco 19
Amsterdam 18
Hangzhou 18
Huizen 17
Mountain View 17
Buenos Aires 16
Nairobi 16
Washington 16
Curitiba 15
Jeddah 15
Ankara 14
Totale 19.240
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Nome #
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase 530
Theoretical study of hydration of cyanamide and carbodiimide 502
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo–Cu CO-dehydrogenases 488
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 478
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase 468
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 444
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen 437
Tetrameric Silver (I) complex with bridging N-heterocyclic carbene ligands: [(iPrImAg(NO3)]4 426
Metal(loid)s role in the pathogenesis of amyotrophic lateral sclerosis: Environmental, epidemiological, and genetic data 407
Use of alternative methods: From fundamental to industrial research 390
Interaction of the H-cluster of FeFe hydrogenase with halides 387
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 375
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 373
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 361
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 356
DFT investigation of the CO2 activation at the active site of the Carbon Monoxide Dehydrogenases 349
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance 336
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 334
Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: An experimental and theoretical investigation 324
Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems 322
Impact of cadmium on intracellular zinc levels in HepG2 cells: Quantitative evaluations and molecular effects 321
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 320
Disclosure of key stereoelectronic factors for efficient H2 binding and cleavage in the active site of [NiFe]-hydrogenases 311
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory 309
Uncovering a Dynamically Formed Substrate Access Tunnel in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase 309
Asymmetric biomimetic oxidations of phenols using oxazolidines as chiral auxiliaries: The enantioselective synthesis of (+)- and (-)-dehydrodiconiferyl alcohol 308
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 305
Asymmetric biomimetic oxidations of phenols: The mechanism of the diastereo- and enantioselective synthesis of thomasidioic acid 303
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 297
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 296
Distinct Lipid Transfer Proteins display different IgE-binding activities that are affected by fatty acid binding 293
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 291
A theoretical study of spin states in Ni-S-4 complexes and models of the [NiFe] hydrogenase active site 289
Nitration of pollen aeroallergens by nitrate ion in conditions simulating the liquid water phase of atmospheric particles 289
Podophyllotoxin and antitumor synthetic aryltetralines. Toward a biomimetic preparation 277
Detection and identification of Criegee intermediates from the ozonolysis of biogenic and anthropogenic VOCs: Comparison between experimental measurements and theoretical calculations 276
Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays 275
Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state 275
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster 274
DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions 273
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 272
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 270
DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases 265
Synthesis of the H-cluster framework of iron-only hydrogenase 263
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 263
Photoinhibition of FeFe hydrogenase 262
Combining experimental and theoretical methods to learn about the reactivity of gas-processing metalloenzymes 261
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 260
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) 256
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 256
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 255
DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe]H subcluster of Fe-only hydrogenases 255
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases 255
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 254
Computational approaches to shed light on molecular mechanisms in biological processes 253
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 250
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 245
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 239
Gas-phase reaction of phenol with NO3 234
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) 234
The regiochemistry of the NO3-promoted gas phase nitration of toluene and phenol with NO2 233
FeMo Heterobimetallic Dithiolate Complexes: Investigation of Their Electron Transfer Chemistry and Reactivity toward Acids, a Density Functional Theory Rationalization 233
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 230
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 228
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) 226
'Measuring' electron delocalization in π-conjugated systems 223
DFT investigation of the stereoelectronic properties of the [NiFe]-hydrogenases: catalytic cycle and oxidation mechanism 222
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: A theoretical perspective 220
DFT investigation of the Ni-A inactive state of the [NiFe]-hydrogenases: inactivation mechanism under aerobic conditions 220
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site 219
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 217
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 217
A DFT study of EPR parameters in Cu(II) complexes of the octarepeat region of the prion protein 216
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 215
Calcolo DFT di parametri EPR e NMR 215
Role of p53 in human hepatoma cells (HepG2) exposed to cadmium: in vitro and in silico approaches 214
N-Aryl Lactams by Regioselective Ozonation of N-Aryl Cyclic Amines 214
Reaction products and mechanism of the regioselective oxidation of N-phenylmorpholine by ozone 213
A new FeMo complex as a model of heterobimetallic assemblies in natural systems: Mössbauer and density functional theory investigations 209
In-silico Modeling of [FeFe]-hydrogenase chemistry 207
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase 206
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 203
Nitrogen dioxide effect on the allergenicity of the timothy grass pollen allergen Phl p 2: an immunochemical and computational study 203
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 202
Trans versus geminal electron delocalization in tetra- and diethynylethenes: A new method of analysis 200
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 200
Targeting Intermediates of [FeFe]-Hydrogenase by CO and CN Vibrational Signatures 198
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 196
Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings 194
Il Piano Lauree Scientifiche – Area Chimica all’Università di Milano-Bicocca 192
Online Quantification of Criegee Intermediates of α-Pinene Ozonolysis by Stabilization with Spin Traps and Proton-Transfer Reaction Mass Spectrometry Detection 185
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 181
Through versus cross electron delocalization in polytriacetylene oligomers: A computational analysis 180
DFT calculations of 57Fe Mössbauer parameters for [FeFe]-hydrogenases models 180
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 179
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) 177
Computational methods in the prediction of the atmospheric reactivity of aromatic compounds. 174
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 173
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 171
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 169
Totale 27.234
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Categoria #
all - tutte 88.566
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 88.566
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021526 0 0 0 0 0 0 0 0 0 0 132 394
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
2025/20268.251 858 503 638 989 1.113 487 1.506 445 816 781 115 0
Totale 29.802