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 10.1016/j.ijpharm.2018.04.036
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 10.1016/j.cplett.2017.06.003
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 10.1021/acs.jpcc.5b01221
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 10.1039/C6RA08509A
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 10.1039/C4AN00223G

 

 

 

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

 

 

Approved by CGLab.