Critical Reviews in Toxicology,
Journal Year:
2016,
Volume and Issue:
47(1), P. 59 - 84
Published: Aug. 11, 2016
Congenital
anomalies
are
an
important
cause
of
infant
mortality
and
disability.
Developmental
exposure
to
environmental
contaminants
is
thought
increase
the
risk
for
congenital
anomalies.
Herein,
we
describe
a
critical
review
literature
conducted
between
February
March
2014
yielding
3057
references
from
which
97
unique
relevant
articles
published
2003
through
were
evaluated.
Common
including
hypospadias,
cryptorchidism,
anogenital
distance
(AGD),
heart
defects
oral
clefts
well
represented
in
whereas
other
outcomes
such
as
neural
tube
defects,
limb
deficiency
gastroschisis
rarely
described.
While
definitions
used
methods
ascertainment
usually
consistent
across
studies,
inconsistencies
frequently
found
grouping
different
defects.
Despite
strong
links
some
parental
occupation,
these
studies
unable
provide
clear
insight
into
specific
chemicals
responsible
owing
lack
direct
measures
exposure.
In
comparison,
data
mixed
contaminant
exposures
at
concentrations
representative
results
contemporary
biomonitoring
studies.
Of
studied,
association
phthalate
developmental
abnormalities
male
reproductive
tract
received
greatest
attention.
Important
limitations
studied
relate
adequacy
sample
size,
absence
or
weaknesses
assessment
methodologies,
failure
account
biological
plausibility
with
divergent
mechanisms.
We
conclude
that
inadequate
this
time
support
conclusion
not
associated
increased
risks
general
population.
The Journal of Chemical Physics,
Journal Year:
2016,
Volume and Issue:
145(11)
Published: Sept. 19, 2016
Large
scale
quantum
calculations
for
molar
enthalpy
of
formation
(ΔfH0),
standard
entropy
(S0),
and
heat
capacity
(CV)
are
presented.
A
large
data
set
may
help
to
evaluate
thermochemistry
tools
in
order
uncover
possible
hidden
shortcomings
also
find
experimental
that
might
need
be
reinvestigated,
indeed
we
list
annotate
approximately
200
problematic
measurements.
Quantum
methods
systematically
underestimate
S0
flexible
molecules
the
gas
phase
if
only
a
single
(minimum
energy)
conformation
is
taken
into
account.
This
problem
can
tackled
principle
by
performing
all
stable
conformations
[Zheng
et
al.,
Phys.
Chem.
13,
10885–10907
(2011)],
but
this
not
practical
molecules.
We
observe
deviation
composite
recipes
from
corresponds
roughly
Boltzmann
equation
(S
=
RlnΩ),
where
R
constant
Ω
number
conformations.
allows
an
empirical
correction
calculated
with
multiple
With
RMSD
experiment
≈13
J/mol
K
1273
compounds.
paper
provides
predictions
ΔfH0,
S0,
CV
well
over
700
compounds
which
no
could
found
literature.
Finally,
facilitate
analysis
thermodynamics
properties
others
have
implemented
new
tool
obthermo
OpenBabel
program
suite
[O’Boyle
J.
Cheminf.
3,
33
(2011)]
including
table
reference
atomization
energy
values
popular
methods.
Scientific Reports,
Journal Year:
2017,
Volume and Issue:
7(1)
Published: Dec. 1, 2017
Abstract
Fluorinated
organic
chemicals
have
a
wide
variety
of
industrial
and
consumer
applications.
For
long
time
perfluorooctane
sulfonate
perfluorooctanoic
acid
been
used
as
precursors
for
manufacture
such
chemicals.
However,
these
C
8
chain
compounds
demonstrated
to
be
toxic,
persistent,
bioaccumulative,
thus
inducing
their
phase-out.
Currently,
6
telomer
based
fluorocarbon
surfactants
are
considered
better
alternatives
products
because
low
bioaccumulability.
But,
high
persistency
suggests
that
in
the
near
future
concentrations
will
increase
environment
waste.
Being
solid
state
non-thermal
technology,
mechanochemical
treatment
is
good
candidate
destruction
emerging
fluorotelomers
In
present
study,
6:2
fluorotelomer
effectively
destroyed
(~100%)
rapid
manner
(<1
h)
by
energy
ball
milling
with
KOH.
Stoichiometric
fluoride
formation
confirms
its
entire
mineralization,
assuring
no
toxic
by-products
generated.
Reaction
mechanism
kinetics
indicate
effective
mineralization
perfluorinated
moiety
obtained
thanks
CF
2
“flake-off”
process
through
radical
mechanism.
Journal of Industrial Ecology,
Journal Year:
2021,
Volume and Issue:
26(1), P. 164 - 182
Published: Nov. 13, 2021
Abstract
Artificial
intelligence
(AI)
is
an
emerging
technology
that
has
great
potential
in
reducing
energy
consumption,
environmental
burdens,
and
operational
risks
of
chemical
production.
However,
large‐scale
applications
AI
are
still
limited.
One
barrier
the
lack
quantitative
understandings
benefits
different
applications.
This
study
reviewed
relevant
literature
categorized
those
case
studies
by
application
types,
impact
categories,
modes.
Most
assessed
energy,
economic,
safety
implications
applications,
while
few
them
have
evaluated
impacts
AI,
given
large
data
gaps
difficulties
choosing
appropriate
assessment
methods.
Based
on
industry,
we
proposed
a
conceptual
framework
encompasses
approaches
from
industrial
ecology,
economics,
engineering
to
guide
selection
performance
indicators
evaluation
methods
for
holistic
AI's
impacts.
could
be
valuable
tool
support
decision‐making
related
fundamental
research
practical
production
chemicals.
Although
this
focuses
insights
review
applied
other
industries
broad
ecology
fields.
In
end,
highlights
future
directions
addressing
challenges
assessing
developing
AI‐enhanced
tools
sustainable
development
industry.
Chemical Communications,
Journal Year:
2023,
Volume and Issue:
59(80), P. 11895 - 11922
Published: Jan. 1, 2023
An
urgent
need
for
quantitative
mechanistic
understanding
of
advanced
redox
processes
aqueous
electrocatalytic
organohalogen
destruction
methods
is
addressed,
highlighting
remediation
fluorinated,
chlorinated,
and
brominated
water
pollutants.
Journal of Materials Chemistry C,
Journal Year:
2014,
Volume and Issue:
2(43), P. 9224 - 9232
Published: Jan. 1, 2014
The
reversible,
vapochromic
response
of
polymeric
films
doped
with
a
4-(diphenylamino)phthalonitrile
(DPAP)
fluorescent
molecular
rotor
suitable
for
sensing
volatile
organic
compounds
(VOCs)
is
presented.
