Zobrazeno 1 - 10
of 24
pro vyhledávání: '"Sónia M. Fiuza"'
Publikováno v:
Journal of Chemistry, Vol 2013 (2013)
The effects of implicitly considering the effects of hydrogen bonding on the molecular properties, such as vibrational frequencies, were inferred on the basis of DFT calculations. Several clusters of isopropylamine were assembled and theoretically ch
Externí odkaz:
https://doaj.org/article/988ca636fde047628213c9657377cf21
Publikováno v:
Journal of Molecular Liquids. 342:117389
Surfactants are ubiquitously used and are currently indispensable in our daily life. However, the increased surfactant production has given rise to some environmental and health concerns making it imperative to look for new sustainable and viable alt
Publikováno v:
International Journal of Pharmaceutics. 609:121139
Emergent diseases caused by viral and bacterial infections have proven to be a current and future challenge. The occurrence of these diseases is usually accompanied by the lack of vaccines and dedicated therapies leaving prevention as the best strate
Autor:
Nicole Amorim, José Amado, Jorge Machado, Cristina Costeira, Irma da Silva Brito, Diogo Amorim, Sónia M. Fiuza
Publikováno v:
CIÊNCIAVITAE
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Anxiety disorders are one of the most common mental health concerns with a major contribution to the global burden of disease. When not treated, anxiety can be aggravated to more serious and complicated health problems. Pharmacology and psychotherapy
Autor:
Sónia M. Fiuza, Luís A. E. Batista de Carvalho, Ana M. Amado, Maria Paula M. Marques, Stewart F. Parker
Publikováno v:
CIÊNCIAVITAE
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
A conformational and vibrational analysis of an antiproliferative spermine-based dinuclear Pd(II) complex (Pd2-Spm) is reported. Density functional theory coupled to all-electron basis sets was used to perform quantum mechanical calculations aimed at
Autor:
Sónia M. Fiuza, Ana M. Amado, Tania M. Silva, L. A. E. Batista de Carvalho, Maria Paula M. Marques
Publikováno v:
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
The present study presents and discusses the conformational preferences of Norspermidine (NSpd). The effects of varying the dielectric constant on the conformational preferences are discussed, with a view to infer which conformation will correspond t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::272765ec4395f439dffa38547a129b4d
Publikováno v:
Bulletin of the Chemical Society of Japan. 85:962-975
The present study reports a performance evaluation of the new Gaussian program version G09 relatively to the previous one in what concerns the SCRF formalism. The potential improvements achieved by...
Publikováno v:
Chemical Biology & Drug Design. 77:477-488
A dinuclear palladium-based complex (Pd(2) -Spm) was synthesized and compared with cisplatin (cDDP) on two different human breast cancer cell lines (MCF-7 and MDA-MB-231) as well as toward an untransformed cell line (BJ fibroblasts). The results obta
Autor:
Sónia M. Fiuza, Ana M. Amado, Sara Padrão, Luís A. E. Batista de Carvalho, A. M. Amorim da Costa
Publikováno v:
Journal of Physical Organic Chemistry. 24:110-121
The validity of the mPW1PW91 density functional theory (DFT) method coupled to the all-electron basis set 6-31G* (mPW1PW/6-31G*) for the study of amines, using isopropylamine (iPram) as a case study, was evaluated. Validation was performed by compari
Autor:
Nelson F. L. Machado, Jorge Garrido, Fernanda Borges, Sónia M. Fiuza, Alexandra Gaspar, Rita Calheiros, Maria Paula M. Marques
Publikováno v:
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
The conformational preferences of several potential anticancer dihydroxycinnamic esters with a variable length alkyl chain were studied by quantum-mechanical (DFT) calculations (both for the isolated molecule and for aqueous solutions). The orientati