Computational Chemistry Laboratory
- Lab Responsible’s Name: Juliana Fedoce Lopes
- Lattes: http://lattes.cnpq.br/3505620044396566
- Email: jfedoce@gmail.com
- Telephone: 55(35) 3629-1757
- The laboratory is located at: Research and Innovation Center in Biofunctional Materials and Biotechnology
- Laboratory area (m²): 20 M²
- The lab is classified as: Mixed (Teaching, Research and Extension)
- The Lab is part of the following Center: Center for Research and Innovation in Biomaterials
- Provides external services: Yes
- Partner Companies / Institutions: UFJF, UFSJ and UFMG
DESCRIPTION OF SERVICES PROVIDED BY THE LABORATORY:
LaQC does not provide business services. It is a research laboratory, which meet the demands of teaching activities (such as practical activities of disciplines linked to the leading teacher) and also guidance of Final Papers. However, it has potential for multiuser use.
SIGNIFICANT SCIENTIFIC ARTICLES, DERIVED FROM LABORATORY USE IN LAST QUADRIEN, PUBLISHED IN EVALUATED SCIENTIFIC JOURNALS:
| Name of article published in journauls | Name of publishing magazine | DOI (LINK OF PUBLICATION) |
|---|---|---|
|
MEIRA, L. H. R. ; SOARES, G. A. B. ; BONOMINI, H. I. ; Fedoce Lopes, Juliana ; De Sousa, F. B. . Thermodynamic compatibility between cyclodextrin supramolecular complexes and surfactant. INTERNATIONAL JOURNAL OF PHARMACEUTICS, v. 544, p. 203-212, 2018. |
International Journal of Pharmaceutics |
|
|
MORAIS, C. A. ; SILVA, B. L. ; DENADAI, Ângelo Márcio Leite ; Lopes, Juliana Fedoce ; De SOUSA, F. B. . Structural and Thermodynamic Investigation of Pentoxifylline-Cyclodextrin Inclusion Complex. CHEMICAL PHYSICS LETTERS, v. 682, p. 43-48, 2017. |
Chemical Physics Letters |
|
|
SOUZA, LEONARDO ; NOGUEIRA, CAMILA A.S. ; Lopes, Juliana Fedoce ; DOS SANTOS, HELIO F. ; DE ALMEIDA, WAGNER BATISTA . Theoretical Study of the Formation of Inclusion Complex Between Cisplatin and Single Wall Carbon Nanotube. Journal of Physical Chemistry. C, v. 119, p. 8394-8401, 2015. |
Journal of Physical Chemistry. C |
|
|
Fedoce Lopes, Juliana; SILVA, JULIANA C. M. ; CRUZ, MAURICIO TM ; DE M. CARNEIRO, J. WALKIMAR ; De Almeida, Wagner B. . DFT Study of Ethanol Dehydration Catalysed by Hematite. RSC Advances: an international journal to further the chemical sciences, p. 40408-40417, 2016. |
RSC Advances: an international journal to further the chemical science |
|
|
NASCIMENTO, CLÉBIO SOARES ; Fedoce Lopes, Juliana ; GUIMARAES, LUCIANA ; BORGES, KEYLLER BASTOS . Molecular modeling study of the recognition mechanism and enantioseparation of 4-hydroxypropranolol by capillary electrophoresis using carboxymethyl-β-cyclodextrin as chiral selector. Analyst (London. 1877. Print), v. 139, p. 3901-3910, 2014. |
Analyst |
| NUMBER OF PEOPLE USING LABORATORY IN LAST BIENIUM | |
|---|---|
|
PhD |
1 |
|
Doctorate degree |
1 |
|
Master’s degree |
4 |
|
Graduation – Term paper |
6 |
|
Graduation – Scientific research |
4 |
| SCIENTIFIC PRODUCTION IN LAST QUADRIEN | |
|---|---|
|
Articles in journals |
7 |
|
Master’s Dissertation |
2 |
|
Accomplished Scientific Research |
8 |
| PROJECTS WITH FUNDING AGENCIES | ||
|---|---|---|
|
Identifier |
Funding agency |
VALUE |
|
APQ-02832-14 |
FAPEMIG |
R$28.000,00 |
|
APQ 01812/12 |
FAPEMIG |
R$24.000,00 |
|
APQ-01293-14 |
FAPEMIG |
R$50.000,00 |
|
477104/2013-4 |
CNPq |
R$25.535,00 |
|
309352/2017-7 |
CNPq |
R$36.900,00 |
| EQUIPMENTS: | |||
|---|---|---|---|
|
Equipament’s name |
Short description |
Quantity |
Unitary value R$ (estimated) |
|
Server |
Workstations for high performance computational simulation calculations |
1 |
R$16.000,00 |
| MAIN SOFTWARES: | ||
|---|---|---|
|
Software Name |
Number of licenses |
UNITARY VALUE R$ (ESTIMATED) |
|
Gaussian 2009 |
1 |
R$ 9.000,00 |