Quimat - Cheminformatics and Materials (Quimat)
AuthID: I-000-BCW
Publications Actions
Publications at Authenticus Institutional Profile
An Authenticus institution (group) is an organization which consists of a set of researchers (institutional/group team). The set of researchers depends on the organizational structure of the institution per year and can be set at the institution profile, under ‘Researchers’ interface. Based on the institutional team we produce listings of publications, statistics and institutional reports.
Publications displayed at an Authenticus institutional profile depend on two parameters:
- Researchers team associated with the institution per year.
- Publications source type.
We define 3 types of publication sources:
- Validated by team members - includes all publications validated by team members. Requires the definition of the institutional team.
- All published by team members - includes all publications validated by the institution team members plus all not-validated (only identified) publications. Requires the definition of the institutional team.
- Affiliation Based - includes publications that have the institution/group in the publication affiliation. Does not require institutional team, but at the same time does not guarantee that all publications will be listed.
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Rules:
This actions updates publications citations of every team member.
Only validated by team members publications are included.
Only the current year team is included in this action.>
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a month!
Only validated by team members publications are included.
Only the current year team is included in this action.>
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a month!
No data about last update.
Rules:
This actions updates all pre print publications of the group/institution.
Only validated by current year team members publications are included.
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a day!
Only validated by current year team members publications are included.
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a day!
Publications Count: 654
15 Team MembersFilters -> Year: 2026
81
TITLE: An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers (vol 24, pg 3043, 2022) Full Text
AUTHORS: Ferro Costas, D; Cordeiro, MNDS ; Fernandez Ramos, A;
PUBLISHED: 2022, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 24, ISSUE: 7, PAGES: 4683-4683
AUTHORS: Ferro Costas, D; Cordeiro, MNDS ; Fernandez Ramos, A;
PUBLISHED: 2022, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 24, ISSUE: 7, PAGES: 4683-4683
INDEXED IN: 
WOS
WOS82
TITLE: caso da “salicilagem dos vinhos do Porto”. ecos de visão social, económica e científica das relações Portugal-Brasil (1885-1905)
AUTHORS: José Ferraz-Caetano ;
PUBLISHED: 2022, SOURCE: Revista Brasileira de História da Ciência, VOLUME: 15, ISSUE: 1, PAGES: 108-119
AUTHORS: José Ferraz-Caetano ;
PUBLISHED: 2022, SOURCE: Revista Brasileira de História da Ciência, VOLUME: 15, ISSUE: 1, PAGES: 108-119
83
TITLE: Computational Modelling and Sustainable Synthesis of a Highly Selective Electrochemical MIP-Based Sensor for Citalopram Detection Full Text
AUTHORS: Rebelo, Patricia; Pacheco, Joao G.; Voroshylova, Iuliia V. ; Seguro, Isabel; Cordeiro, Maria Natalia D. S. ; Delerue Matos, Cristina ;
PUBLISHED: 2022, SOURCE: MOLECULES, VOLUME: 27, ISSUE: 10, PAGES: 3315
AUTHORS: Rebelo, Patricia; Pacheco, Joao G.; Voroshylova, Iuliia V. ; Seguro, Isabel; Cordeiro, Maria Natalia D. S. ; Delerue Matos, Cristina ;
PUBLISHED: 2022, SOURCE: MOLECULES, VOLUME: 27, ISSUE: 10, PAGES: 3315
84
TITLE: Correction: An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers Full Text
AUTHORS: David Ferro-Costas; Natália N D S Cordeiro ; Antonio Fernández-Ramos;
PUBLISHED: 2022, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 24, ISSUE: 7, PAGES: 4683-4683
AUTHORS: David Ferro-Costas; Natália N D S Cordeiro ; Antonio Fernández-Ramos;
PUBLISHED: 2022, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 24, ISSUE: 7, PAGES: 4683-4683
INDEXED IN: 
CrossRef
CrossRef85
TITLE: Current Outlooks on Machine Learning Methods for the Development of Industrial Homogeneous Catalytic Systems
AUTHORS: José Ferraz-Caetano ;
PUBLISHED: 2022, SOURCE: CURRENT ORGANOCATALYSIS, VOLUME: 9, ISSUE: 4, PAGES: 276-280
AUTHORS: José Ferraz-Caetano ;
PUBLISHED: 2022, SOURCE: CURRENT ORGANOCATALYSIS, VOLUME: 9, ISSUE: 4, PAGES: 276-280
86
TITLE: Double layer in ionic liquids: Temperature effect and bilayer model
AUTHORS: Ers, Heigo; Voroshylova, Iuliia ; Pikma, Piret; Ivanistsev, Vladislav B.;
PUBLISHED: 2022, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 363, PAGES: 119747
AUTHORS: Ers, Heigo; Voroshylova, Iuliia ; Pikma, Piret; Ivanistsev, Vladislav B.;
PUBLISHED: 2022, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 363, PAGES: 119747
87
TITLE: First multi-target QSAR model for predicting the cytotoxicity of acrylic acid-based dental monomers Full Text
AUTHORS: Halder, AK ; Delgado, AHS; Cordeiro, MNDS ;
PUBLISHED: 2022, SOURCE: DENTAL MATERIALS, VOLUME: 38, ISSUE: 2, PAGES: 333-346
AUTHORS: Halder, AK ; Delgado, AHS; Cordeiro, MNDS ;
PUBLISHED: 2022, SOURCE: DENTAL MATERIALS, VOLUME: 38, ISSUE: 2, PAGES: 333-346
88
TITLE: Identification of novel candidates for inhibition of LasR, a quorum-sensing receptor of multidrug resistant Pseudomonas aeruginosa, through a specialized multi-level in silico approach
AUTHORS: Magalhaes, RP; Vieira, TF; Melo, A ; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: MOLECULAR SYSTEMS DESIGN & ENGINEERING, VOLUME: 7, ISSUE: 5, PAGES: 434-446
AUTHORS: Magalhaes, RP; Vieira, TF; Melo, A ; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: MOLECULAR SYSTEMS DESIGN & ENGINEERING, VOLUME: 7, ISSUE: 5, PAGES: 434-446
89
TITLE: In silico characterization of aryl benzoyl hydrazide derivatives as potential inhibitors of RdRp enzyme of H5N1 influenza virus Full Text
AUTHORS: Ghosh, Abhishek; Panda, Parthasarathi; Halder, Amit Kumar ; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2022, SOURCE: FRONTIERS IN PHARMACOLOGY, VOLUME: 13
AUTHORS: Ghosh, Abhishek; Panda, Parthasarathi; Halder, Amit Kumar ; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2022, SOURCE: FRONTIERS IN PHARMACOLOGY, VOLUME: 13
90
TITLE: Insights into the Mechanism of Methanol Steam Reforming for Hydrogen Production over Ni-Cu-Based Catalysts
AUTHORS: Fajin, JLC ; Cordeiro, MNDS ;
PUBLISHED: 2022, SOURCE: ACS CATALYSIS, VOLUME: 12, ISSUE: 1, PAGES: 512-526
AUTHORS: Fajin, JLC ; Cordeiro, MNDS ;
PUBLISHED: 2022, SOURCE: ACS CATALYSIS, VOLUME: 12, ISSUE: 1, PAGES: 512-526
91
TITLE: Legislators' Plague. How History of Science Can Explain the Struggles of Universal Pandemic Responses
AUTHORS: José Ferraz-Caetano ; Bruno D A Pinheiro ;
PUBLISHED: 2022, SOURCE: Handbook of Research on Historical Pandemic Analysis and the Social Implications of COVID-19 - Advances in Human Services and Public Health, PAGES: 47-59
AUTHORS: José Ferraz-Caetano ; Bruno D A Pinheiro ;
PUBLISHED: 2022, SOURCE: Handbook of Research on Historical Pandemic Analysis and the Social Implications of COVID-19 - Advances in Human Services and Public Health, PAGES: 47-59
INDEXED IN: CrossRef
CrossRef92
TITLE: Long-range communication between transmembrane- and nucleotide-binding domains does not depend on drug binding to mutant P-glycoprotein
AUTHORS: Cátia A Bonito; Ricardo J Ferreira; Maria-José.U Ferreira; Jean-Pierre Gillet; Natália N D S Cordeiro ; Daniel J V A dos Santos ;
PUBLISHED: 2022
AUTHORS: Cátia A Bonito; Ricardo J Ferreira; Maria-José.U Ferreira; Jean-Pierre Gillet; Natália N D S Cordeiro ; Daniel J V A dos Santos ;
PUBLISHED: 2022
INDEXED IN: CrossRef
CrossRef93
TITLE: Moving Average-Based Multitasking In Silico Classification Modeling: Where Do We Stand and What Is Next? Full Text
AUTHORS: Halder, Amit Kumar ; Moura, Ana S. ; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2022, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 23, ISSUE: 9, PAGES: 4937
AUTHORS: Halder, Amit Kumar ; Moura, Ana S. ; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2022, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 23, ISSUE: 9, PAGES: 4937
94
TITLE: N2O Hydrogenation on Silver Doped Gold Catalysts, a DFT Study
AUTHORS: Fajin, Jose L. C. ; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2022, SOURCE: NANOMATERIALS, VOLUME: 12, ISSUE: 3, PAGES: 394
AUTHORS: Fajin, Jose L. C. ; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2022, SOURCE: NANOMATERIALS, VOLUME: 12, ISSUE: 3, PAGES: 394
95
TITLE: p A simple electrochemical detection of atorvastatin based on disposable screen-printed carbon electrodes modified by molecularly imprinted polymer: Experiment and simulation Full Text
AUTHORS: Rebelo, P; Pacheco, JG; Voroshylova, IV ; Melo, A ; Cordeiro, MNDS ; Delerue Matos, C ;
PUBLISHED: 2022, SOURCE: ANALYTICA CHIMICA ACTA, VOLUME: 1194, PAGES: 339410
AUTHORS: Rebelo, P; Pacheco, JG; Voroshylova, IV ; Melo, A ; Cordeiro, MNDS ; Delerue Matos, C ;
PUBLISHED: 2022, SOURCE: ANALYTICA CHIMICA ACTA, VOLUME: 1194, PAGES: 339410
96
TITLE: Predicting the Surface Tension of Deep Eutectic Solvents: A Step Forward in the Use of Greener Solvents Full Text
AUTHORS: Halder, Amit Kumar ; Haghbakhsh, Reza; Voroshylova, Iuliia V. ; Duarte, Ana Rita C.; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2022, SOURCE: MOLECULES, VOLUME: 27, ISSUE: 15, PAGES: 4896
AUTHORS: Halder, Amit Kumar ; Haghbakhsh, Reza; Voroshylova, Iuliia V. ; Duarte, Ana Rita C.; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2022, SOURCE: MOLECULES, VOLUME: 27, ISSUE: 15, PAGES: 4896
97
TITLE: Relating the Ambient Temperature and Ionic Liquid Structure to the Changes of Capacitance Using Molecular Dynamics
AUTHORS: Heigo Ers; Iuliia Voroshylova ; Piret Pikma; Vladislav Ivanistsev;
PUBLISHED: 2022, SOURCE: ECS Meeting Abstracts, VOLUME: MA2022-01, ISSUE: 46, PAGES: 1958-1958
AUTHORS: Heigo Ers; Iuliia Voroshylova ; Piret Pikma; Vladislav Ivanistsev;
PUBLISHED: 2022, SOURCE: ECS Meeting Abstracts, VOLUME: MA2022-01, ISSUE: 46, PAGES: 1958-1958
INDEXED IN: CrossRef
CrossRef98
TITLE: Synthesis, anticancer activity, SAR and binding mode of interaction studies of substituted pentanoic acids: part II
AUTHORS: Datta, S; Halder, AK ; Adhikari, N; Amin, SA; Das, S; Jha, T;
PUBLISHED: 2022, SOURCE: FUTURE MEDICINAL CHEMISTRY, VOLUME: 14, ISSUE: 1, PAGES: 17-34
AUTHORS: Datta, S; Halder, AK ; Adhikari, N; Amin, SA; Das, S; Jha, T;
PUBLISHED: 2022, SOURCE: FUTURE MEDICINAL CHEMISTRY, VOLUME: 14, ISSUE: 1, PAGES: 17-34
INDEXED IN: 
Scopus WOS
Scopus WOS99
TITLE: Theoretical Study on the Diels–Alder Reaction of Fullerenes: Analysis of Isomerism, Aromaticity, and Solvation
AUTHORS: Diogo J L Rodrigues; Luís M N B F Santos ; André Melo ; Carlos F R A C Lima ;
PUBLISHED: 2022, SOURCE: Organics, VOLUME: 3, ISSUE: 4, PAGES: 364-379
AUTHORS: Diogo J L Rodrigues; Luís M N B F Santos ; André Melo ; Carlos F R A C Lima ;
PUBLISHED: 2022, SOURCE: Organics, VOLUME: 3, ISSUE: 4, PAGES: 364-379
100
TITLE: Toxicity Assessment of the Binary Mixtures of Aquatic Organisms Based on Different Hypothetical Descriptors Full Text
AUTHORS: Ji, Meng; Zhang, Lihong; Zhuang, Xuming; Tian, Chunyuan; Luan, Feng; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2022, SOURCE: MOLECULES, VOLUME: 27, ISSUE: 19, PAGES: 6389
AUTHORS: Ji, Meng; Zhang, Lihong; Zhuang, Xuming; Tian, Chunyuan; Luan, Feng; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2022, SOURCE: MOLECULES, VOLUME: 27, ISSUE: 19, PAGES: 6389
