Jaqueline S. Soares

Dias RF, da Costa CC, Manhabosco TM, de Oliveira AB, Matos MJS, Soares JS, Batista RJC. Ab initio molecular dynamics simulation of methanol and acetonitrile: The effect of van der Waals interactions. Chemical Physics Letters [Internet]. 2019;714 :172 - 177. Publisher's VersionAbstract
We employed PBE and BLYP semi-local functionals and the van der Waals density functional of Dion et al. (2004) (vdW-DF) to investigate structural properties of liquid acetonitrile and methanol. Among those functionals the vdW-DF is the only one that correctly predicts energy minima in inter-molecular interactions between acetonitrile molecules. We found that van der Waals interactions have a negligible effect on H-bonds in methanol chains. However, it significantly increases chain packing resulting in a more dense liquid in comparison to the other two functionals. The overall trend is that the vdW-DF tends to overestimate density and bulk modulus, meanwhile the semi-local functionals tend to underestimate density. Thus, van der Waals interactions play an important role in the properties of liquids in which much stronger dipole-dipole interactions are present.
Garcia A\'ısioM, Magalhes FL, Soares JS, Junior EP, de Lima MFR, Mamede M, de Paula AM. Second harmonic generation imaging of the collagen architecture in prostate cancer tissue. Biomedical Physics & Engineering Express [Internet]. 2018;4 (2) :025026. Publisher's VersionAbstract
Optical microscopy has been one of the most important tools for visualizing biological samples since the seventeenth century. Recently, with the advances in femtosecond laser technology, all the nonlinear optical processes have now been included as optical microscopy methods, and second harmonic generation (SHG) microscopy has emerged as a powerful new optical imaging tool with applications in medicine and biology. Here we use SHG microscopy to obtain images of 76 prostate biopsies on histological slides. Multiple samples from the excised prostates of patients who underwent a radical prostatectomy were evaluated. The samples were collected from prostate positions as in needle biopsy procedures. The results show the collagen fiber architecture among malignant acini, and analysis of the fiber orientation in the images reveals that the collagen fibers become more aligned at higher malignancy grades. Furthermore, we find that the degree of fiber alignment correlates directly with the Gleason patterns.
de Felipe L. Magalhães, Alexei M. C. Machado EPSKSAMPAMGIBJSSMM. Raman spectroscopy with a 1064-nm wavelength laser as a potential molecular tool for prostate cancer diagnosis: a pilot study. Journal of Biomedical Optics [Internet]. 2018;23 (12) :1 - 6 - 6. Publisher's Version
Munk M, Ladeira LO, Carvalho BC, Camargo LSA, Raposo N??dia RB, Serapi??o RV, Quint??o CCR, Silva SR, Soares JS, Jorio A, et al. Efficient delivery of DNA into bovine preimplantation embryos by multiwall carbon nanotubes. Scientific Reports [Internet]. 2016;6 :33588 EP -. Publisher's Version
Filho VFL, Machado G, Batista RJC, Soares JS, de Oliveira AB, de Vasconcelos C, Lino AA, Manhabosco TM. Effect of TiO2 Nanoparticles on Polyaniline Films Electropolymerized at Different pH. The Journal of Physical Chemistry C [Internet]. 2016;120 (27) :14977-14983. Publisher's Version
Oliveira AB, Chacham H, Soares JS, Manhabosco TM, de Resende HFV, Batista RJC. Vibrational G peak splitting in laterally functionalized single wall carbon nanotubes: Theory and molecular dynamics simulations. Carbon [Internet]. 2016;96 :616-621. Publisher's Version
Sathyavathi R, Saha A, Soares JS, Spegazzini N, McGee S, Rao Dasari R, Fitzmaurice M, Barman I. Raman spectroscopic sensing of carbonate intercalation in breast microcalcifications at stereotactic biopsy. Scientific Reports [Internet]. 2015;5 :9907 EP -. Publisher's Version
Araujo PT, Barbosa Neto NM, Chacham H, Carara SS, Soares JS, Souza AD, Cancado LG, Oliveira AB, Batista RJC, Joselevich E, et al. In Situ Atomic Force Microscopy Tip-Induced Deformations and Raman Spectroscopy Characterization of Single-Wall Carbon Nanotubes. Nano Letters. 2012;12 (8) :4110-4116.
Soares JS, Barboza APM, Araujo PT, Barbosa Neto NM, Nakabayashi D, Shadmi N, Yarden TS, Ismach A, Geblinger N, Joselevich E, et al. Modulating the Electronic Properties along Carbon Nanotubes via Tube-Substrate Interaction. Nano Letters [Internet]. 2010;10 (12) :5043-5048. Publisher's Version