Bicocca Open Archive

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BRUSCHI, MAURIZIO
 Distribuzione geografica
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Continente #
NA - Nord America 11.394
EU - Europa 5.420
AS - Asia 2.697
SA - Sud America 238
AF - Africa 36
OC - Oceania 10
Continente sconosciuto - Info sul continente non disponibili 5
Totale 19.800
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Nazione #
US - Stati Uniti d'America 11.125
CN - Cina 957
IT - Italia 950
SG - Singapore 840
SE - Svezia 758
RU - Federazione Russa 738
DE - Germania 676
UA - Ucraina 558
IE - Irlanda 529
HK - Hong Kong 380
GB - Regno Unito 318
VN - Vietnam 274
CA - Canada 265
PL - Polonia 211
BR - Brasile 210
AT - Austria 160
FR - Francia 148
FI - Finlandia 121
DK - Danimarca 95
IN - India 90
NL - Olanda 69
TR - Turchia 61
BE - Belgio 36
ID - Indonesia 19
ES - Italia 16
ZA - Sudafrica 16
JP - Giappone 14
RO - Romania 12
IR - Iran 11
AR - Argentina 8
AU - Australia 6
BD - Bangladesh 6
CH - Svizzera 6
MA - Marocco 6
CO - Colombia 5
EG - Egitto 5
IL - Israele 5
CL - Cile 4
KE - Kenya 4
NZ - Nuova Zelanda 4
PK - Pakistan 4
TW - Taiwan 4
AE - Emirati Arabi Uniti 3
CZ - Repubblica Ceca 3
EU - Europa 3
IQ - Iraq 3
PY - Paraguay 3
SC - Seychelles 3
UZ - Uzbekistan 3
VE - Venezuela 3
BG - Bulgaria 2
BY - Bielorussia 2
EC - Ecuador 2
JM - Giamaica 2
KR - Corea 2
KZ - Kazakistan 2
LB - Libano 2
LK - Sri Lanka 2
PS - Palestinian Territory 2
PT - Portogallo 2
SA - Arabia Saudita 2
SK - Slovacchia (Repubblica Slovacca) 2
TH - Thailandia 2
A1 - Anonimo 1
A2 - ???statistics.table.value.countryCode.A2??? 1
AF - Afghanistan, Repubblica islamica di 1
AL - Albania 1
AZ - Azerbaigian 1
BA - Bosnia-Erzegovina 1
BH - Bahrain 1
BN - Brunei Darussalam 1
BO - Bolivia 1
EE - Estonia 1
GR - Grecia 1
HU - Ungheria 1
JO - Giordania 1
KG - Kirghizistan 1
LT - Lituania 1
ML - Mali 1
MN - Mongolia 1
MT - Malta 1
MU - Mauritius 1
MX - Messico 1
MY - Malesia 1
NI - Nicaragua 1
OM - Oman 1
PE - Perù 1
RS - Serbia 1
UY - Uruguay 1
Totale 19.800
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Città #
Ann Arbor 2.234
Woodbridge 1.266
Fairfield 892
Wilmington 861
Chandler 596
Jacksonville 590
Houston 541
Singapore 515
Ashburn 513
Dublin 507
Frankfurt am Main 427
Dearborn 422
Hong Kong 378
Seattle 334
Milan 329
Santa Clara 319
Cambridge 299
Princeton 236
Kraków 206
Nanjing 201
New York 188
Dong Ket 161
Vienna 151
Shanghai 123
Altamura 102
Ottawa 97
Lachine 96
Lawrence 91
San Diego 77
Beijing 68
Guangzhou 60
Nanchang 58
Council Bluffs 55
Shenyang 51
Boardman 50
Hebei 47
Fremont 41
Moscow 39
Los Angeles 38
Falls Church 36
Tianjin 36
Toronto 35
Romola 34
Brussels 32
Jiaxing 28
Ningbo 26
Andover 25
Changsha 24
Edmonton 24
Norwalk 23
Helsinki 22
Jinan 22
Sacramento 22
Kunming 20
London 20
Jakarta 19
Zhengzhou 18
Huizen 17
Mountain View 17
Philadelphia 17
Pune 17
São Paulo 16
Hangzhou 15
Catania 13
San Mateo 13
Montréal 11
Taizhou 11
Washington 11
Auburn Hills 10
Kiev 10
Leawood 10
Tappahannock 10
Belo Horizonte 9
Bologna 9
Hefei 9
Monmouth Junction 9
Sesto San Giovanni 9
Brescia 8
Changchun 8
Grafing 8
Lauterbourg 8
Rio de Janeiro 8
Rome 8
Verona 8
Chicago 7
Nuremberg 7
Nürnberg 7
Paderno Dugnano 7
University Park 7
College Station 6
Dallas 6
Düsseldorf 6
Florence 6
Redmond 6
Asti 5
Campinas 5
Chengdu 5
Como 5
Coventry 5
Detroit 5
Totale 14.119
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Nome #
A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo–Cu CO-dehydrogenases 387
Theoretical study of hydration of cyanamide and carbodiimide 385
The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase 383
Tetrameric Silver (I) complex with bridging N-heterocyclic carbene ligands: [(iPrImAg(NO3)]4 360
Theoretical Insights into the Aerobic Hydrogenase Activity of Molybdenum–Copper CO Dehydrogenase 332
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen 324
Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations 308
Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations 301
Metal(loid)s role in the pathogenesis of amyotrophic lateral sclerosis: Environmental, epidemiological, and genetic data 289
Functionally relevant interplay between the Fe4S4 cluster and CN- ligands in the active site of [FeFe]-Hydrogenases 276
H2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry 271
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 269
Interaction of the H-cluster of FeFe hydrogenase with halides 263
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation 249
Use of alternative methods: From fundamental to industrial research 248
Uncovering a Dynamically Formed Substrate Access Tunnel in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase 245
Disclosure of key stereoelectronic factors for efficient H2 binding and cleavage in the active site of [NiFe]-hydrogenases 240
Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance 232
Impact of cadmium on intracellular zinc levels in HepG2 cells: Quantitative evaluations and molecular effects 229
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 227
Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site 223
A theoretical study of spin states in Ni-S-4 complexes and models of the [NiFe] hydrogenase active site 221
DFT investigation of the CO2 activation at the active site of the Carbon Monoxide Dehydrogenases 220
Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; A DFT investigation 219
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 215
Combining experimental and theoretical methods to learn about the reactivity of gas-processing metalloenzymes 204
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation 202
Asymmetric biomimetic oxidations of phenols using oxazolidines as chiral auxiliaries: The enantioselective synthesis of (+)- and (-)-dehydrodiconiferyl alcohol 201
Distinct Lipid Transfer Proteins display different IgE-binding activities that are affected by fatty acid binding 201
Nitration of pollen aeroallergens by nitrate ion in conditions simulating the liquid water phase of atmospheric particles 198
Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems 197
Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: An experimental and theoretical investigation 194
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 194
Computational approaches to shed light on molecular mechanisms in biological processes 193
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 192
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) 191
Asymmetric biomimetic oxidations of phenols: The mechanism of the diastereo- and enantioselective synthesis of thomasidioic acid 191
Mechanistic and Physiological Implications of the Interplay among Iron-Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective 190
Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex 189
DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions 189
Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays 187
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 186
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 186
DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe]H subcluster of Fe-only hydrogenases 186
DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases 186
Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state 186
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 185
Synthesis of the H-cluster framework of iron-only hydrogenase 184
Excited state properties and photochemistry in [FeFe] hydrogenase research area. The Time-Dependent Density Functional Theory theoretical picture 184
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: A theoretical perspective 180
Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds 180
Podophyllotoxin and antitumor synthetic aryltetralines. Toward a biomimetic preparation 177
Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory 177
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster 177
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 176
Computational investigation of proton reduction in [Fe-Fe]-hydrogenase bioinspired complexes: μ-H versus t-H 172
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases 169
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site 167
'Measuring' electron delocalization in π-conjugated systems 165
Structure and energetics of Fe-2(CO)(8) singlet and triplet electronic states 164
Reaction products and mechanism of the regioselective oxidation of N-phenylmorpholine by ozone 161
A DFT study of the influences of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase 160
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study 158
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) 157
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 155
Detection and identification of Criegee intermediates from the ozonolysis of biogenic and anthropogenic VOCs: Comparison between experimental measurements and theoretical calculations 155
Calcolo DFT di parametri EPR e NMR 153
DFT investigation of binding and redox properties of the Hox state of [FeFe]-hydrogenases 152
Gas-phase reaction of phenol with NO3 151
A new FeMo complex as a model of heterobimetallic assemblies in natural systems: Mössbauer and density functional theory investigations 151
Photoinhibition of FeFe hydrogenase 150
Online Quantification of Criegee Intermediates of α-Pinene Ozonolysis by Stabilization with Spin Traps and Proton-Transfer Reaction Mass Spectrometry Detection 146
A DFT study of EPR parameters in Cu(II) complexes of the octarepeat region of the prion protein 143
Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings 143
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases 140
Il Piano Lauree Scientifiche – Area Chimica all’Università di Milano-Bicocca 140
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 139
Trans versus geminal electron delocalization in tetra- and diethynylethenes: A new method of analysis 137
Targeting Intermediates of [FeFe]-Hydrogenase by CO and CN Vibrational Signatures 134
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 131
N-Aryl Lactams by Regioselective Ozonation of N-Aryl Cyclic Amines 131
DFT calculations of 57Fe Mössbauer parameters for [FeFe]-hydrogenases models 131
Through versus cross electron delocalization in polytriacetylene oligomers: A computational analysis 130
The regiochemistry of the NO3-promoted gas phase nitration of toluene and phenol with NO2 129
DFT investigation of the stereoelectronic properties of the [NiFe]-hydrogenases: catalytic cycle and oxidation mechanism 129
DFT investigation of the Ni-A inactive state of the [NiFe]-hydrogenases: inactivation mechanism under aerobic conditions 129
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 128
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 128
Role of p53 in human hepatoma cells (HepG2) exposed to cadmium: in vitro and in silico approaches 127
Nitrogen dioxide effect on the allergenicity of the timothy grass pollen allergen Phl p 2: an immunochemical and computational study 127
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 126
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 125
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 124
Mechanism of Fe-only hydrogenases studied by QM/MMn methods 120
FeMo Heterobimetallic Dithiolate Complexes: Investigation of Their Electron Transfer Chemistry and Reactivity toward Acids, a Density Functional Theory Rationalization 120
Electron delocalization in linearly pi-conjugated systems: A concept for quantitative analysis 119
Computational methods in the prediction of the atmospheric reactivity of aromatic compounds. 116
Functional effects on the TDDFT investigations in organometallic photochemistry 116
In-silico Modeling of [FeFe]-hydrogenase chemistry 116
DFT investigation of the stereoelectronic factors for efficient H binding and cleavage in the active site of [NiFe]-hydrogenases 113
Totale 18.856
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Categoria #
all - tutte 65.125
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 65.125
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020589 0 0 0 0 0 0 0 0 0 264 233 92
2020/20212.943 213 115 270 277 237 220 275 287 227 296 132 394
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
2024/20253.081 212 480 195 205 385 210 268 216 350 560 0 0
Totale 20.590