Carcinogenic activity of polycyclic aromatic hydrocarbons in first-principles

Computer Physics Communications ◽

10.1016/j.cpc.2007.02.088 ◽

2007 ◽

Vol 177 (1-2) ◽

pp. 50

Author(s):

Oleg Efimov ◽

Young-Gui Yoon ◽

Seung-Hoon Jhi

Keyword(s):

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

First Principles ◽

Carcinogenic Activity ◽

Polycyclic Aromatic

Download Full-text

Identifying Relevant Molecular Descriptors Related to Carcinogenic Activity of Polycyclic Aromatic Hydrocarbons (PAHs) Using Pattern Recognition Methods.

10.1002/chin.200305222 ◽

2003 ◽

Vol 34 (5) ◽

Author(s):

V. R. Coluci ◽

R. Vendrame ◽

R. S. Braga ◽

D. S. Galvao

Keyword(s):

Pattern Recognition ◽

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Molecular Descriptors ◽

Carcinogenic Activity ◽

Pattern Recognition Methods ◽

Polycyclic Aromatic

Download Full-text

A First Principles Development of a General Anisotropic Potential for Polycyclic Aromatic Hydrocarbons

Journal of Chemical Theory and Computation ◽

10.1021/ct9004883 ◽

2010 ◽

Vol 6 (3) ◽

pp. 683-695 ◽

Author(s):

Tim S. Totton ◽

Alston J. Misquitta ◽

Markus Kraft

Keyword(s):

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

First Principles ◽

Polycyclic Aromatic

Download Full-text

First-Principles Study of the Lithium Interaction with Polycyclic Aromatic Hydrocarbons

The Journal of Physical Chemistry B ◽

10.1021/jp011597n ◽

2001 ◽

Vol 105 (48) ◽

pp. 11986-11993 ◽

Author(s):

Shigeru Ishikawa ◽

Galia Madjarova ◽

Tokio Yamabe

Keyword(s):

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

First Principles ◽

Lithium Interaction ◽

First Principles Study ◽

Polycyclic Aromatic

Download Full-text

Identifying Relevant Molecular Descriptors Related to Carcinogenic Activity of Polycyclic Aromatic Hydrocarbons (PAHs) Using Pattern Recognition Methods

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci025577+ ◽

2002 ◽

Vol 42 (6) ◽

pp. 1479-1489 ◽

Author(s):

V. R. Coluci ◽

R. Vendrame ◽

R. S. Braga ◽

D. S. Galvão

Keyword(s):

Pattern Recognition ◽

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Molecular Descriptors ◽

Carcinogenic Activity ◽

Pattern Recognition Methods ◽

Polycyclic Aromatic

Download Full-text

CARCINOGENIC ACTIVITY AND EXCITED ELECTRONIC STATES OF POLYCYCLIC AROMATIC HYDROCARBONS

Industrial Health ◽

10.2486/indhealth.3.143 ◽

1965 ◽

Vol 3 (3-4) ◽

pp. 143-146

Author(s):

Hidetsuru MATSUSHITA ◽

Hiroyuki SAKABE

Keyword(s):

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Electronic States ◽

Excited Electronic States ◽

Carcinogenic Activity ◽

Polycyclic Aromatic

Download Full-text

High-Pressure Elastic Properties of Polycyclic Aromatic Hydrocarbons Obtained by First-Principles Calculations

Geochemistry International ◽

10.1134/s0016702919050069 ◽

2019 ◽

Vol 57 (5) ◽

pp. 499-508

Author(s):

K. D. Litasov ◽

T. M. Inerbaev ◽

F. U. Abuova ◽

A. D. Chanyshev ◽

A. K. Dauletbekova ◽

...

Keyword(s):

High Pressure ◽

Polycyclic Aromatic Hydrocarbons ◽

Elastic Properties ◽

Aromatic Hydrocarbons ◽

First Principles ◽

First Principles Calculations ◽

Polycyclic Aromatic

Download Full-text

Structure–carcinogenic activity relationship studies of polycyclic aromatic hydrocarbons (PAHs) with pattern-recognition methods

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(00)00795-8 ◽

2001 ◽

Vol 539 (1-3) ◽

pp. 253-265 ◽

Author(s):

R. Vendrame ◽

R.S. Braga ◽

Y. Takahata ◽

D.S. Galvão

Keyword(s):

Pattern Recognition ◽

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Activity Relationship ◽

Carcinogenic Activity ◽

Pattern Recognition Methods ◽

Polycyclic Aromatic

Download Full-text

Identifying carcinogenic activity of methylated polycyclic aromatic hydrocarbons (PAHs)

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(98)00557-0 ◽

1999 ◽

Vol 464 (1-3) ◽

pp. 257-266 ◽

Author(s):

R.S. Braga ◽

P.M.V.B. Barone ◽

D.S. Galvão

Keyword(s):

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Carcinogenic Activity ◽

Polycyclic Aromatic

Download Full-text

Relations between the Averaged 13C Nuclear Magnetic Resonance Chemical Shift and the Carcinogenic Activity of Polycyclic Aromatic Hydrocarbons.

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.40.1981 ◽

1992 ◽

Vol 40 (8) ◽

pp. 1981-1985 ◽

Author(s):

Yohko SAKAMOTO ◽

Shigeru OHSHIMA ◽

Taichi OHMOTO

Keyword(s):

Nuclear Magnetic Resonance ◽

Polycyclic Aromatic Hydrocarbons ◽

Magnetic Resonance ◽

Chemical Shift ◽

Aromatic Hydrocarbons ◽

Carcinogenic Activity ◽

13C Nuclear Magnetic Resonance ◽

Polycyclic Aromatic ◽

Nuclear Magnetic

Download Full-text

Content of Polycyclic Aromatic Hydrocarbons in the Road Asphalt in Olecko

Studia Ecologiae et Bioethicae ◽

10.21697/seb.2008.6.1.18 ◽

2008 ◽

Vol 6 (1) ◽

pp. 255-261

Author(s):

Ireneusz Chrząścik ◽

Magdalena Szymalska ◽

Mariusz Kluska

Keyword(s):

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Dry Mass ◽

Negative Influence ◽

Road Asphalt ◽

Carcinogenic Activity ◽

The Road ◽

Polycyclic Aromatic

Przedstawiono ocenę zawartości wielopierścieniowych węglowodorów aromatycznych (WWA) w asfaltach drogowych wyprodukowanych w różnych latach na terenie Polski. Zwrócono uwagę na zagrożenia wynikające podczas kontaktu z asfaltem Estimation of Polycyclic Aromatic Hydrocarbons (PAHs) in the road asphalt produced in different years in Poland was presented. Attention was paid especially to risks resulting from contact with asphalt and negative influence on life and health of road users. All 5 hydrocarbons recognized by WHO as compounds with carcinogenic activity and have been found in investigated samples, t t e results are situated between 0.1 and 60 pg/kg of dry mass. Simultaneously, it is necessary to emphasize, that asphalt consist of 90 % of aggregates and 10% ofbinder which contains these analyzed compounds.

Download Full-text