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JBCS
Journal of the Brazilian Chemical Society
ISSN 0103-5053
Vol. 26, No. 6, June, 2015
Cover Picture
The figure shows sugarcane, raw material for ethanol production, exposed to different environmental conditions in Brazilian
crop areas. Composed of 70% water, this plant was the key in this work to investigate the influence of seasonal and regional
variations in source water isotopic patterns and their influence on ethanol’s isotopic ratios, aiming at discrimination of
geographical origin. Details are presented in the Article Mapping Ethanol Production Sources in Brazil Through Stable
Isotopes by Gilson C. Silva, Marcelo Z. Moreira, Arthur L. Scofield, José M. O. Godoy, Lilian F. Almeida, Angela L. R. Wagener
on page 1283.
Contents
Review
1055
The Multiple Faces of Eugenol. A Versatile Starting Material
and Building Block for Organic and Bio-Organic Synthesis
and a Convenient Precursor Toward Bio-Based Fine
Chemicals
Teodoro S. Kaufman
Graphical Abstract
Eugenol is a convenient starting material or building block for the
synthesis of structurally, biologically or technologically relevant
compounds and natural products, and a suitable precursor for fine
chemicals synthesis
iv
J. Braz. Chem. Soc.
Articles
1086
SI online
Synthesis and Antitumor Evaluation of New Heterocycles
Derived from 3-Methyl-2-benzothiazolinone Hydrazone
Nabila M. Ibrahim, Hisham A. A. Yosef, Ewies F. Ewies,
Mohamed R. H. Mahran, Mamdouh M. Ali and
Abeer E. Mahmoud
Graphical Abstract
3-Methyl-2-benzothiazolinone hydrazone condensed with some selected
aldehydes to give the corresponding Schiff bases, which cyclize with
thioglycolic acid to afford the respective thiazolidenones
1098
Separation, Concentration and Determination of Trace
Thiamphenicol in Egg, Milk and Honey Using Polyoxyethylene
Lauryl Ether-Salt Aqueous Two-Phase System Coupled with
High Performance Liquid Chromatography
Hui Yao, Yang Lu, Juan Han, Yun Wang and Yongsheng Yan
Graphical Abstract
The schematic diagram of separation thiamphenicol (TAP) in
polyoxyethylene lauryl ether (POELE10)-(NH4)2SO4 aqueous two-phase
system (ATPS)
1111
Interrelation Between the Interaction Parameter and the
Width of the Adsorption Voltammetric Peak
Vladimir D. Ivanov
Graphical Abstract
A width of adsorption voltammetric peak (δ) may be a key to interactions
in the adsorption layer, defined by interaction parameter G
1115
SI online
Effect of Applied Voltage on Slow-Release of Cu(II) Ions on the
Synthesis of Copper(II) Stearate Complex by Electrochemical
Technique
Norazzizi Nordin, Siti Z. Hasan, Zuhailie Zakaria,
Noor A. Baharuddin, Wan Z. Samad, Muhammad R. Yusop
and Mohamed R. Othman
Graphical Abstract
Cu(II) stearate complex was synthesized by the slow-release of Cu2+ ion
from the electrochemical oxidation of a Cu anode with stearic acid.
Different values of applied voltages (1, 5 and 10 V) were used during the
synthesis to study the effect of applied voltage on the particle size and
morphology of the complex
Vol. 26, No. 6, 2015
1124
SI online
Investigation of the Environmental Transport of Human
Pharmaceuticals to Surface Water: A Case Study of
Persistence of Pharmaceuticals in Effluent of Sewage
Treatment Plants and Hospitals in Malaysia
Fouad F. Al-Qaim, Md P. Abdullah, Mohamed R. Othman,
Zainab H. Mussa, Zuriati Zakaria, Jalifah Latip and
Wan M. Afiq
Graphical Abstract
The liquid chromatography-time of flight/mass spectrometry
(LC-TOF/MS) method was developed and validated to quantify and
monitor pharmaceuticals water samples. Ten pharmaceuticals were
detected in water samples (surface water, sewage treatment plants and
hospital waste) by using LC-TOF/MS instrument
1136
Structure of Humic Substances from Some Regions of the
Amazon Assessed Coupling 3D Fluorescence Spectroscopy
and CP/PARAFAC
Cleber H. Santos, Gustavo Nicolodelli, Renan A. Romano,
Amanda M. Tadini, Paulino R. Villas-Boas, Célia R. Montes,
Stephane Mounier and Débora M. B. P. Milori
Graphical Abstract
Structural changes of humic acids (HAs) extracted from Amazonian
soils were studied using fluorescence emission-excitation matrix (EEM)
combined with parallel factor analysis (CP/PARAFAC). This combination
enabled the identification and quantification of two fluorophores
associated with HAs
1143
Recovery Process Development for the Rare Earths from
Permanent Magnet Scraps Leach Liquors
Ho-Sung Yoon, Chul-Joo Kim, Kyeong W. Chung,
Sung-Don Kim and Jyothi R. Kumar
Graphical Abstract
Slogan and objective of the present recovery process development for
the dysprosium and neodymium separation from permanent magnets
scraps leach liquors
1152New Alkaloids from Margaritopsis carrascoana (Rubiaceae)
Raimundo R. G. Nascimento, Antônia T. A. Pimenta, Pedro de
Lima Neto, José R. C. Junior, Letícia V. Costa-Lotufo, Elthon
SI online G. Ferreira, Luzineide W. Tinoco, Raimundo Braz-Filho,
Edilberto R. Silveira and Mary A. S. Lima
Graphical Abstract
Two new alkaloids were isolated from the aerial parts of Margaritopsis
carrascoana, along with known calycosidine and hodgkinsine
1160
SI online
Adsorption of Transition Metal Chlorides by Silica with
Grafted 1-n-Propyl-3-Methylimidazolium Chloride
Anton V. Panteleimonov, Mykyta O. Onizhuk,
Inna V. Khristenko, Iuliia I. Chuiko, Oleg S. Tkachenko,
Yoshitaka Gushikem and Yuriy V. Kholin
Graphical Abstract
The model of bidentate binding was employed to describe equilibria
of metal chlorides adsorption by silica with grafted 1-n-propyl-3methylimidazolium chloride. The model takes into account the fixation of
metal species as tri- and tetrachlorometallate anions detained near the
surface as counterions and also the dissociation and auto-complexation
equilibria of metal chlorides in solutions
v
vi
J. Braz. Chem. Soc.
1171
SI online
Optimization of Auxiliary Solvent Demulsification
Microextraction for Determination of Cyanide in
Environmental Water and Biological Samples by Microvolume
UV-Vis Spectrophotometry
Shahed Hassanpoor, Gholamreza Khayatian, Raouf Ghavami
and Elham Safaei
Graphical Abstract
The solvent terminated-auxiliary solvent-dispersive liquid-liquid
microextraction (ST-AS-DLLME) technique was combined with
microvolume UV-Vis spectrophotometry avoiding centrifugation and
simplifying the operation. The extraction optimization was performed
based on design of experiment (DOE) methods
1180
SI online
Synthesis of Nano-Pore Size Ag(I)-Imprinted Polymer for the
Extraction and Preconcentration of Silver Ions Followed by Its
Determination with Flame Atomic Absorption Spectrometry
and Spectrophotometry Using Localized Surface Plasmon
Resonance Peak of Silver Nanoparticles
Shayessteh Dadfarnia, Ali Mohammad Haji Shabani,
Elahe Kazemi, Seyed Ahmad Heydari Khormizi and
Fattema Tammadon
Graphical Abstract
An ion imprinted polymer is synthesized and applied for selective extraction of
silver from different aqueous samples. The silver content is determined using the
flame atomic absorption spectrometry (FAAS) and spectrophotometry based on
silver localized surface plasmon resonance peak (LSPRP)
1191TiO2 Supported on HZSM-11 Zeolite as Efficient Catalyst for
the Photodegradation of Chlorobenzoic Acids
Juan P. Montañez, Silvina Gómez, Ana N. Santiago and
Liliana B. Pierella
Graphical Abstract
Chlorobenzoic acids are persistent pollutants in the environment,
adversely affecting the flora and fauna. In this work, the photocatalytic
decomposition of 2-, 3- and 4-chlorobenzoic acids with TiO2 loaded on
HZSM-11 zeolite was investigated. We report the use of zeolite-supported
TiO2, which can be easily removed and is a very efficient and reusable
photocatalyst
1201
SI online
Green Synthesis of Chalcones and Microbiological Evaluation
Marina Ritter, Rosiane M. Martins, Silvana A. Rosa, Juliana L.
Malavolta, Rafael G. Lund, Alex F. C. Flores and
Claudio M. P. Pereira
Graphical Abstract
This work describes an efficient method for the synthesis of chalcones in
glycerin and antifungal and antibacterial assays for these molecules
1211
Evaluation of Direct Analysis for Trace Elements in Tea and
Herbal Beverages by ICP-MS
Raquel F. Milani, Marcelo A. Morgano, Elisabete S. Saron,
Fabio F. Silva and Solange Cadore
Graphical Abstract
A simple and fast method for Al, As, Ba, Cd, Cr, Cu, Fe, Mn, Ni, Pb, Se,
and Zn determination in tea and herbal beverages using direct analysis by
inductively coupled plasma mass spectrometry (ICP-MS) was developed
Vol. 26, No. 6, 2015
1218
SI online
In silico Antibacterial Activity Modeling Based on the
TOMOCOMD-CARDD Approach
Juan A. Castillo-Garit, Yovani Marrero-Ponce, Stephen J.
Barigye, Ricardo Medina-Marrero, Milagros G. Bernal,
José M. G. de la Vega, Francisco Torrens, Vicente J. Arán,
Facundo Pérez-Giménez, Ramón García-Domenech and
Rosa Acevedo-Barrios
Graphical Abstract
Antibacterial classification functions based on the topological
molecular computer design-computer aided ‘‘rational’’ drug design
(TOMOCOMD‑CARDD) bilinear indices are presented. These models were
built using the linear discriminant analysis (LDA) method over compounds
dataset of 2230 molecular structures
1227
Brazilian Federal District Cocaine Chemical Profiling - Mass
Balance Approach and New Adulterant Routinely Quantified
(Aminopyrine)
Adriano O. Maldaner, Élvio D. Botelho, Jorge J. Zacca,
Marcos A. Camargo, Jez W. Braga and Tatiane S. Grobério
Graphical Abstract
Cocaine samples seized in Brazilian Federal District between 2010 and
2013 were analyzed by the Federal Police chemical profiling program
(PeQui project). Cocaine purity, degree of oxidation and pharmaceutical
products used as cutting agents were determined by gas chromatographyflame ionization detector (GC-FID) analysis. A new adulterant was
identified and routinely quantified (aminopyrine) and a mass balance
approach was discussed
1232
SI online
Preliminary Investigation of Medicinal Herb Adulteration
Using Comprehensive Two-Dimensional Gas Chromatography
and Chemometric Analysis
Juliane E. Welke, Flaviana C. Damasceno, Karine P. Nicolli,
Lilian Mentz, Elina B. Caramão, Fernando H. Pulgati and
Cláudia A. Zini
Graphical Abstract
Seven compounds were appointed by chemometric analysis of two
dimensional gas chromatography data as the most discriminating
between anise and fennel. These compounds were used to verify the
use of fennel instead of anise (as described in label) in personal care
products
1247
Synthesis, Vibrational Spectroscopic and Thermal Properties
of Oxocarbon Cross‑Linked Chitosan
Nelson L. G. D. Souza, Tamyres F. Salles, Humberto M.
Brandão, Howell G. M. Edwards and Luiz F. C. de Oliveira
Graphical Abstract
Chitosan has been cross-linked covalently and ionically with different
oxocarbons and pseudo-oxocarbons and characterised using vibrational
(Raman and infrared) spectroscopy, thermogravimetry and nuclear
magnetic resonance spectroscopy
1257
H qNMR and Chemometric Analyses of Urban Wastewater
Elenilson G. Alves Filho, Luci Sartori, Lorena M. A. Silva,
Tiago Venâncio, Renato L. Carneiro and Antonio G. Ferreira
1
SI online
Graphical Abstract
The contributions of domestic and industrial discharges in the common
wastewater system and seasonal variations were investigated by
1
H nuclear magnetic resonance (NMR) coupled to multivariate statistical
analysis to monitor the sewage treatment operations
vii
viii
J. Braz. Chem. Soc.
1265
Multiple Dynamics of Hydrazone Based Compounds
Elkin L. Romero, Richard F. D’Vries, Fabio Zuluaga and
Manuel N. Chaur
SI online
Graphical Abstract
Hydrazones, derived from hydrazinopyridines, are compounds capable of
undergoing reversible configurational changes and to coordinate metal
centers exhibiting in each of those states different electronic and optical
properties
1274
Novel and Fast Microwave-Assisted Synthesis of Carbon
Quantum Dots from Raw Cashew Gum
Natalia R. Pires, Clara M. W. Santos, Rayane R. Sousa, Regina
C. M. de Paula, Pablyana L. R. Cunha and Judith P. A. Feitosa
Graphical Abstract
Carbon quantum dot with bright blue photoluminescence was synthesized
from raw cashew gum using novel and fast microwave-assisted procedure
1283
SI online
Mapping Ethanol Production Sources in Brazil Through
Stable Isotopes
Gilson C. Silva, Marcelo Z. Moreira, Arthur L. Scofield, José
M. O. Godoy, Lilian F. Almeida and Angela L. R. Wagener
Graphical Abstract
Influence of seasonal variations in water isotopic patterns on isotopic
fingerprints of ethanol and correlations with sugarcane biomass
1297
Exploratory Analysis of the Distribution of Lignin and
Cellulose in Woods by Raman Imaging and Chemometrics
Carla J. G. Colares, Tereza C. M. Pastore, Vera T. R. Coradin,
José A. A. Camargos, Alessandro C. O. Moreira, Joel C. Rubim
and Jez W. B. Braga
Graphical Abstract
Microscopic lignin and cellulose image chemical analysis in Mahogany and
Eucalyptus by Raman spectroscopy and multivariate curve resolution
Short Report
1306
SI online
Straightforward and Clean Ultrasound-Promoted Synthesis
of 2-(4,5-Dihydro‑1H‑pyrazol-1-yl)pyrimidines
Bruna P. Kuhn, Juliana L. Malavolta, Gleison A. Casagrande,
Cristiano Raminelli, Frank H. Quina, Claudio M. P. Pereira,
Alex F. C. Flores and Lucas Pizzuti
Graphical Abstract
A series of novel 2-(pyrazol-1-yl)pyrimidine derivatives was easily
obtained under ultrasonic conditions