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New Light on NO Bonding in Fe(III) Heme Proteins from Resonance Raman Spectroscopy and DFT Modeling

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Density functional based vibrational study of conformational isomers: Molecular rearrangement of benzofuroxan
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Nitric oxide myoglobin: Crystal structure and analysis of ligand geometry
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Steric contributions to CO binding in heme proteins: a density functional analysis of FeCO vibrations and deformability
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Phe‐46(CD4) orients the distal histidine for hydrogen bonding to bound ligands in sperm whale myoglobin
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Computational modeling of factors that modulate the unique FeNO bonding in {FeNO}6 heme–thiolate model complexes
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Ambidentate H-bonding by heme-bound NO: structural and spectral effects of –O versus –N H-bonding
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Myoglobin discriminates between O2, NO, and CO by electrostatic interactions with the bound ligand
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On the significance of hydrogen bonds for the discrimination between CO and O2 by myoglobin
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Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory
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The Structure of the Cytochrome a3-cuB Site of Mammalian Cytochrome c Oxidase as probed by MCD and EPR Spectroscopy
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CO as a vibrational probe of heme protein active sites
inferredcites →https://doi.org/10.1016/j.jinorgbio.2004.10.009openalex-snapshot
Nitric oxide interaction with insect nitrophorins and thoughts on the electron configuration of the FeNO complex
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Heme-based sensors: defining characteristics, recent developments, and regulatory hypotheses
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Ligand?protein interactions in nitric oxide synthase
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Influence of the Heme Pocket Conformation on the Structure and Vibrations of the Fe-CO Bond in Myoglobin: A QM/MM Density Functional Study
inferredcites →https://doi.org/10.1016/s0006-3495(01)76177-2openalex-snapshot
pH-Dependent Structural Changes at the Heme-Copper Binuclear Center of Cytochrome c Oxidase
inferredcites →https://doi.org/10.1016/s0006-3495(81)84863-1openalex-snapshot
Structural features and the reaction mechanism of cytochrome oxidase: iron and copper X-ray absorption fine structure
inferredcites →https://doi.org/10.1016/s0020-1693(99)00253-4openalex-snapshot
Role of the axial ligand in hemeCO backbonding; DFT analysis of vibrational data
inferredcites →https://doi.org/10.1016/s0021-9258(18)94029-9openalex-snapshot
Discrimination between Oxygen and Carbon Monoxide and Inhibition of Autooxidation by Myoglobin
inferredcites →https://doi.org/10.1016/s0021-9258(19)49732-9openalex-snapshot
A novel site-directed mutant of myoglobin with an unusually high O2 affinity and low autooxidation rate.
inferredcites →https://doi.org/10.1016/s0022-2836(03)00578-3openalex-snapshot
Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications
inferredcites →https://doi.org/10.1016/s0162-0134(02)00426-9openalex-snapshot
Theoretical study of the discrimination between O2 and CO by myoglobin
inferredcites →https://doi.org/10.1016/s0167-4838(98)00006-5openalex-snapshot
The effects of heme modification on reactivity, ligand binding properties and iron-coordination structures of cytochrome P450nor
inferredcites →https://doi.org/10.1016/s0301-4622(02)00090-xopenalex-snapshot
Myoglobin as a model system for designing heme protein based blood substitutes
inferredcites →https://doi.org/10.1016/s1367-5931(00)00193-9openalex-snapshot
Recent advances in heme-protein sensors
inferredcites →https://doi.org/10.1021/bi00031a001openalex-snapshot
Two conformations of the catalytic site in the aa3-type cytochrome c oxidase from Rhodobacter sphaeroides
inferredcites →https://doi.org/10.1021/bi00172a021openalex-snapshot
Structural Determinants of the Stretching Frequency of CO Bound to Myoglobin
inferredcites →https://doi.org/10.1021/bi00233a009openalex-snapshot
Contributions of residue 45(CD3) and heme-6-propionate to the bimolecular and geminate recombination reactions of myoglobin
inferredcites →https://doi.org/10.1021/bi0109257openalex-snapshot
Ligand-Induced Heme Ruffling and Bent NO Geometry in Ultra-High-Resolution Structures of Nitrophorin 4,
inferredcites →https://doi.org/10.1021/bi026395bopenalex-snapshot
FeNO Structure in Distal Pocket Mutants of Myoglobin Based on Resonance Raman Spectroscopy
inferredcites →https://doi.org/10.1021/bi035798oopenalex-snapshot
NO Binding Induced Conformational Changes in a Truncated Hemoglobin from Mycobacterium tuberculosis
inferredcites →https://doi.org/10.1021/bi0483155openalex-snapshot
Protein Functional Cycle Viewed at Atomic Resolution: Conformational Change and Mobility in Nitrophorin 4 as a Function of pH and NO Binding,
inferredcites →https://doi.org/10.1021/bi0518848openalex-snapshot
Nitrosyl−Heme Structures of Bacillus subtilis Nitric Oxide Synthase Have Implications for Understanding Substrate Oxidation,
inferredcites →https://doi.org/10.1021/bi7007068openalex-snapshot
Structure and Ligand Binding Properties of Myoglobins Reconstituted with Monodepropionated Heme: Functional Role of Each Heme Propionate Side Chain,
inferredcites →https://doi.org/10.1021/bi960442gopenalex-snapshot
Mechanism of NO-Induced Oxidation of Myoglobin and Hemoglobin
inferredcites →https://doi.org/10.1021/bi962744oopenalex-snapshot
Identification of Conformational Substates Involved in Nitric Oxide Binding to Ferric and Ferrous Myoglobin through Difference Fourier Transform Infrared Spectroscopy (FTIR)
inferredcites →https://doi.org/10.1021/cr0006627openalex-snapshot
Nitric Oxide in Biological Denitrification: Fe/Cu Metalloenzyme and Metal Complex NOx Redox Chemistry
inferredcites →https://doi.org/10.1021/cr0307289openalex-snapshot
Mechanisms of Reductive Nitrosylation in Iron and Copper Models Relevant to Biological Systems
inferredcites →https://doi.org/10.1021/ic00055a009openalex-snapshot
Resonance Raman investigation of nitric oxide bonding in iron porphyrins: detection of the Fe-NO stretching vibration
inferredcites →https://doi.org/10.1021/ic000789eopenalex-snapshot
Structural and Electronic Characterization of Nitrosyl(Octaethylporphinato)iron(III) Perchlorate Derivatives
inferredcites →https://doi.org/10.1021/ic00299a009openalex-snapshot
In situ FTIR and UV-visible spectroelectrochemical studies of iron nitrosyl porphyrins in nonaqueous media
inferredcites →https://doi.org/10.1021/ic049045hopenalex-snapshot
Fe−N−O Structure and Bonding in Six-Coordinate {FeNO}6 Porphyrinates Containing Imidazole: Implications for Reactivity of Coordinated NO
inferredcites →https://doi.org/10.1021/ic049532xopenalex-snapshot
Mechanisms of Ferriheme Reduction by Nitric Oxide: Nitrite and General Base Catalysis1
inferredcites →https://doi.org/10.1021/ic050486qopenalex-snapshot
Toward Modeling H-NOX Domains: A DFT Study of Heme-NO Complexes as Hydrogen Bond Acceptors
inferredcites →https://doi.org/10.1021/ic070023fopenalex-snapshot
Electronic Structure of Ferric Heme Nitrosyl Complexes with Thiolate Coordination
inferredcites →https://doi.org/10.1021/ic50123a052openalex-snapshot
General bonding model for linear and bent transition metal-nitrosyl complexes
inferredcites →https://doi.org/10.1021/ic50169a001openalex-snapshot
Qualitative discussion of alternative coordination modes of diatomic ligands in transition metal complexes
inferredcites →https://doi.org/10.1021/ic50208a062openalex-snapshot
Ab initio molecular orbital calculations on square-pyramidal iron nitrosyls. Geometry and electronic structure of {FeNO}6, {FeNO}7, and {FeNO}8 systems
inferredcites →https://doi.org/10.1021/j100010a019openalex-snapshot
Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields
inferredcites →https://doi.org/10.1021/ja00008a007openalex-snapshot
Resonance Raman characterization of nitric oxide adducts of cytochrome P450cam: the effect of substrate structure on the iron-ligand vibrations
inferredcites →https://doi.org/10.1021/ja001431kopenalex-snapshot
UV Resonance Raman Detection of a Ligand Vibration on Ferric Nitrosyl Heme Proteins
inferredcites →https://doi.org/10.1021/ja0016295openalex-snapshot
Nitric Oxide Reductase from Paracoccus denitrificans Contains an Oxo-Bridged Heme/Non-Heme Diiron Center
inferredcites →https://doi.org/10.1021/ja0031927openalex-snapshot
Resonance Raman Spectroscopic Study of Nitrophorin 1, a Nitric Oxide-Binding Heme Protein from Rhodnius prolixus, and Its Nitrosyl and Cyano Adducts
inferredcites →https://doi.org/10.1021/ja004314yopenalex-snapshot
A Quantum Chemical Survey of Metalloporphyrin−Nitrosyl Linkage Isomers: Insights into the Observation of Multiple FeNO Conformations in a Recent Crystallographic Determination of Nitrophorin 4
inferredcites →https://doi.org/10.1021/ja005670jopenalex-snapshot
First Synthetic NO−Heme−Thiolate Complex Relevant to Nitric Oxide Synthase and Cytochrome P450nor
inferredcites →https://doi.org/10.1021/ja00748a042openalex-snapshot
Bending nitrosyls in tetragonal complexes
inferredcites →https://doi.org/10.1021/ja017708dopenalex-snapshot
An Electrostatic Model for the Frequency Shifts in the Carbonmonoxy Stretching Band of Myoglobin: Correlation of Hydrogen Bonding and the Stark Tuning Rate
inferredcites →https://doi.org/10.1021/ja0207145openalex-snapshot
Nitrosyliron(III) Porphyrinates: Porphyrin Core Conformation and FeNO Geometry. Any Correlation?
inferredcites →https://doi.org/10.1021/ja046942bopenalex-snapshot
Five-Coordinate Fe III NO and Fe II CO Porphyrinates: Where Are the Electrons and Why Does It Matter?
inferredcites →https://doi.org/10.1021/ja064859dopenalex-snapshot
Differential Sensing of Protein Influences by NO and CO Vibrations in Heme Adducts
inferredcites →https://doi.org/10.1021/ja801860uopenalex-snapshot
Electronic Structure of Six-Coordinate Iron(III)−Porphyrin NO Adducts: The Elusive Iron(III)−NO(radical) State and Its Influence on the Properties of These Complexes
inferredcites →https://doi.org/10.1021/ja807700nopenalex-snapshot
Intermediates Involved in the Two Electron Reduction of NO to N2O by a Functional Synthetic Model of Heme Containing Bacterial NO Reductase
inferredcites →https://doi.org/10.1021/ja953311wopenalex-snapshot
Studies on the Reaction Mechanism for Reductive Nitrosylation of Ferrihemoproteins in Buffer Solutions
inferredcites →https://doi.org/10.1021/ja9637816openalex-snapshot
Unique Binding of Nitric Oxide to Ferric Nitric Oxide Reductase from Fusarium oxysporum Elucidated with Infrared, Resonance Raman, and X-ray Absorption Spectroscopies
inferredcites →https://doi.org/10.1021/ja980253gopenalex-snapshot
Determination of the Fe−Ligand Bond Lengths and Fe−N−O Bond Angles in Horse Heart Ferric and Ferrous Nitrosylmyoglobin Using Multiple-Scattering XAFS Analyses
inferredcites →https://doi.org/10.1021/ja982979iopenalex-snapshot
Nitric Oxide Binding to the Ferri- and Ferroheme States of Nitrophorin 1, a Reversible NO-Binding Heme Protein from the Saliva of the Blood-Sucking Insect, Rhodnius prolixus
inferredcites →https://doi.org/10.1021/ja984308qopenalex-snapshot
Synthesis, Molecular Structures, and Properties of Six-Coordinate [Fe(OEP)(L)(NO)]+ Derivatives: Elusive Nitrosyl Ferric Porphyrins
inferredcites →https://doi.org/10.1021/ja990042ropenalex-snapshot
Determinants of the FeXO (X = C, N, O) Vibrational Frequencies in Heme Adducts from Experiment and Density Functional Theory
inferredcites →https://doi.org/10.1021/jp073974nopenalex-snapshot
An Evaluation of Harmonic Vibrational Frequency Scale Factors
inferredcites →https://doi.org/10.1021/jp9918205openalex-snapshot
Bound CO Is A Molecular Probe of Electrostatic Potential in the Distal Pocket of Myoglobin
inferredcites →https://doi.org/10.1038/76769openalex-snapshot
Nitric oxide binding to nitrophorin 4 induces complete distal pocket burial.
inferredcites →https://doi.org/10.1039/b602611gopenalex-snapshot
The first structurally characterized nitrosyl heme thiolate model complex
inferredcites →https://doi.org/10.1039/b802070copenalex-snapshot
Metal-containing sensor proteins sensing diatomic gas molecules
inferredcites →https://doi.org/10.1073/pnas.0808606105openalex-snapshot
A functional nitric oxide reductase model
inferredcites →https://doi.org/10.1073/pnas.80.22.7042openalex-snapshot
Resonance Raman studies of nitric oxide binding to ferric and ferrous hemoproteins: detection of Fe(III)--NO stretching, Fe(III)--N--O bending, and Fe(II)--N--O bending vibrations.
inferredcites →https://doi.org/10.1074/jbc.275.7.4816openalex-snapshot
Proton Delivery in NO Reduction by Fungal Nitric-oxide Reductase
inferredcites →https://doi.org/10.1074/jbc.m005033200openalex-snapshot
Time-resolved Infrared Spectroscopy Reveals a Stable Ferric Heme-NO Intermediate in the Reaction of Paracoccus pantotrophus Cytochrome cd 1 Nitrite Reductase with Nitrite
inferredcites →https://doi.org/10.1074/jbc.m201913200openalex-snapshot
Nitric-oxide Reductase
inferredcites →https://doi.org/10.1074/jbc.m211131200openalex-snapshot
Interaction of Nitric Oxide with Human Heme Oxygenase-1
inferredcites →https://doi.org/10.1074/jbc.m406178200openalex-snapshot
Structural Dynamics Controls Nitric Oxide Affinity in Nitrophorin 4
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Cell biology and molecular basis of denitrification
inferredcites →https://doi.org/10.1146/annurev.bb.18.060189.001033openalex-snapshot
X-Ray Absorption Spectroscopic Investigations of Cytochrome c Oxidase Structure and Function

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Incoming claims: where this work appears in other papers’ reference lists and arguments.

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inferred← citeshttps://doi.org/10.1021/cr500056mopenalex-snapshot
Functional Divergence of Heme-Thiolate Proteins: A Classification Based on Spectroscopic Attributes
inferred← citeshttps://doi.org/10.1021/ic1011988openalex-snapshot
Nitric Oxide Reduction of Copper(II) Complexes: Spectroscopic Evidence of Copper(II)−Nitrosyl Intermediate
inferred← citeshttps://doi.org/10.1021/ic200073vopenalex-snapshot
Naked Five-Coordinate FeIII(NO) Porphyrin Complexes: Vibrational and Reactivity Features
inferred← citeshttps://doi.org/10.1021/ic201967fopenalex-snapshot
Mechanism of NO Photodissociation in Photolabile Manganese–NO Complexes with Pentadentate N5 Ligands
inferred← citeshttps://doi.org/10.1021/ic202004dopenalex-snapshot
Ferric Complexes of 3-Hydroxy-4-pyridinones Characterized by Density Functional Theory and Raman and UV–vis Spectroscopies
inferred← citeshttps://doi.org/10.1021/ic400364xopenalex-snapshot
Electronic Structure and Ligand Vibrations in FeNO, CoNO, and FeOO Porphyrin Adducts
inferred← citeshttps://doi.org/10.1021/ja104107qopenalex-snapshot
CO and O2 Binding to Pseudo-tetradentate Ligand−Copper(I) Complexes with a Variable N-Donor Moiety: Kinetic/Thermodynamic Investigation Reveals Ligand-Induced Changes in Reaction Mechanism
inferred← citeshttps://doi.org/10.1021/ja204072jopenalex-snapshot
HNO Binding in a Heme Protein: Structures, Spectroscopic Properties, and Stabilities
inferred← citeshttps://doi.org/10.1021/ja5105766openalex-snapshot
Comprehensive Fe–Ligand Vibration Identification in {FeNO}6 Hemes
inferred← citeshttps://doi.org/10.1021/jacs.5c11310openalex-snapshot
Recovery of High-Voltage Oxygen Redox Activity by Eliminating Residual Oxygen Dimers
inferred← citeshttps://doi.org/10.1021/jp207849uopenalex-snapshot
Deep UV Resonance Raman Spectroscopy of β-Sheet Amyloid Fibrils: A QM/MM Simulation
inferred← citeshttps://doi.org/10.1021/jp304398gopenalex-snapshot
Axial Ligand Effects on Vibrational Dynamics of Iron in Heme Carbonyl Studied by Nuclear Resonance Vibrational Spectroscopy
inferred← citeshttps://doi.org/10.1021/jp305510copenalex-snapshot
Why Is the Oxidation State of Iron Crucial for the Activity of Heme-Dependent Aldoxime Dehydratase? A QM/MM Study
inferred← citeshttps://doi.org/10.1021/jp400055dopenalex-snapshot
Photoexcitation Dynamics of NO-Bound Ferric Myoglobin Investigated by Femtosecond Vibrational Spectroscopy
inferred← citeshttps://doi.org/10.1021/jp4005345openalex-snapshot
Effect of Solvent Polarity on the Vibrational Dephasing Dynamics of the Nitrosyl Stretch in an Fe II Complex Revealed by 2D IR Spectroscopy
inferred← citeshttps://doi.org/10.1021/jp407052aopenalex-snapshot
pH-Dependent Picosecond Structural Dynamics in the Distal Pocket of Nitrophorin 4 Investigated by 2D IR Spectroscopy
inferred← citeshttps://doi.org/10.1021/jp407733gopenalex-snapshot
Direct Observation of the Low-Spin Fe(III)–NO(radical) Intermediate State during Rebinding of NO to Photodeligated Ferric Cytochrome c
inferred← citeshttps://doi.org/10.1021/jp5072742openalex-snapshot
Vibrational Signatures of S -Nitrosoglutathione as Gaseous, Protonated Species
inferred← citeshttps://doi.org/10.1021/jz401141popenalex-snapshot
IR Signature of NO Binding to a Ferrous Heme Center
inferred← citeshttps://doi.org/10.1038/s41570-018-0041-7openalex-snapshot
Reversing nitrogen fixation
inferred← citeshttps://doi.org/10.1039/9781788012836-00015openalex-snapshot
Haem-based Sensors of Nitric Oxide
inferred← citeshttps://doi.org/10.1039/c0cp00671hopenalex-snapshot
IRMPD spectroscopy of protonated S-nitrosocaptopril, a biologically active, synthetic amino acid
inferred← citeshttps://doi.org/10.1039/c2cp23568dopenalex-snapshot
The effect of point mutation on the equilibrium structural fluctuations of ferric Myoglobin
inferred← citeshttps://doi.org/10.1039/c2dt11082bopenalex-snapshot
Nitric oxide reactivity of copper(ii) complexes of bidentate amine ligands: effect of substitution on ligand nitrosation
inferred← citeshttps://doi.org/10.1039/c2dt12423hopenalex-snapshot
Theoretical calculations of physico-chemical and spectroscopic properties of bioinorganic systems: current limits and perspectives
inferred← citeshttps://doi.org/10.1039/c2dt30464copenalex-snapshot
Synthesis, spectroscopic analysis and photolabilization of water-soluble ruthenium(iii)–nitrosyl complexes
inferred← citeshttps://doi.org/10.1039/c2dt30721aopenalex-snapshot
Nitric oxide reactivity of copper(ii) complexes of bidentate amine ligands: effect of chelate ring size on the stability of a [CuII–NO] intermediate
inferred← citeshttps://doi.org/10.1039/c3cp51347eopenalex-snapshot
Two-dimensional stimulated resonance Raman spectroscopy study of the Trp-cage peptide folding
inferred← citeshttps://doi.org/10.1039/c3dt32580fopenalex-snapshot
Nitric oxide reactivity of Cu(ii) complexes of tetra- and pentadentate ligands: structural influence in deciding the reduction pathway
inferred← citeshttps://doi.org/10.1039/c3dt51954fopenalex-snapshot
Theoretical studies of iron(iii)-catalyzed intramolecular C–H amination of azides
inferred← citeshttps://doi.org/10.1039/c3ob41977kopenalex-snapshot
A structural and dynamic investigation of the inhibition of catalase by nitric oxide
inferred← citeshttps://doi.org/10.1039/c3pp50014dopenalex-snapshot
Geminate rebinding dynamics of nitric oxide to ferric hemoglobin in D2O solution
inferred← citeshttps://doi.org/10.1039/c4fd00161copenalex-snapshot
The effect on structural and solvent water molecules of substrate binding to ferric horseradish peroxidase
inferred← citeshttps://doi.org/10.1039/c6an00859copenalex-snapshot
Epigenetic changes in cancer by Raman imaging, fluorescence imaging, AFM and scanning near-field optical microscopy (SNOM). Acetylation in normal and human cancer breast cells MCF10A, MCF7 and MDA-MB-231
inferred← citeshttps://doi.org/10.1039/c8an00302eopenalex-snapshot
Spectroscopy-based characterization of Hb–NO adducts in human red blood cells exposed to NO-donor and endothelium-derived NO
inferred← citeshttps://doi.org/10.1039/d1ra08398hopenalex-snapshot
Insights into the effect of distal histidine and water hydrogen bonding on NO ligation to ferrous and ferric heme: a DFT study
inferred← citeshttps://doi.org/10.1042/bj20101496openalex-snapshot
Relationship between protein structural fluctuations and rebinding dynamics in ferric haem nitrosyls
inferred← citeshttps://doi.org/10.1063/5.0107220openalex-snapshot
Efficient simulation of resonance Raman spectra with tight-binding approximations to density functional theory
inferred← citeshttps://doi.org/10.1089/ars.2012.4564openalex-snapshot
How Do Heme-Protein Sensors Exclude Oxygen? Lessons Learned from Cytochrome c′, Nostoc puntiforme Heme Nitric Oxide/Oxygen-Binding Domain, and Soluble Guanylyl Cyclase
inferred← citeshttps://doi.org/10.12688/f1000research.5836.1openalex-snapshot
Fourier transform infrared spectroscopy study of ligand photodissociation and migration in inducible nitric oxide synthase
inferred← citeshttps://doi.org/10.12688/f1000research.5836.2openalex-snapshot
Fourier transform infrared spectroscopy study of ligand photodissociation and migration in inducible nitric oxide synthase
inferred← citeshttps://doi.org/10.1371/journal.pone.0129940openalex-snapshot
SERR Spectroelectrochemical Study of Cytochrome cd1 Nitrite Reductase Co-Immobilized with Physiological Redox Partner Cytochrome c552 on Biocompatible Metal Electrodes
inferred← citeshttps://doi.org/10.3390/molecules24152691openalex-snapshot
Discovery of a Nitric Oxide-Responsive Protein in Arabidopsis thaliana
inferred← citeshttps://doi.org/10.5463/thesis.171openalex-snapshot
Computational Investigation of Chemical and Theoretical Factors in SERS-CT Selection Rules
inferred← citeshttps://doi.org/10.70675/cb0776cazb400z448az8ac6z4893e793d792openalex-snapshot
Etude des mécanismes de détection, d'adaptation et de protection d'une souche de Pseudomonas fluorescens isolée de l'air en réponse au NO2 gazeux, marqueur de pollution automobile
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