Heart,
Год журнала:
2019,
Номер
106(9), С. 691 - 697
Опубликована: Окт. 31, 2019
Objectives
We
recently
identified
a
health
conscious
food
pattern
(HCFP)
associated
with
reduced
risk
of
cardiometabolic
disease.
However,
the
molecular
events
linking
healthy
to
disease
are
unknown.
Our
aim
was
identify
plasma
metabolites
HCFP
and
test
if
such
predict
mortality.
Methods
Using
liquid-chromatography
mass-spectrometry,
112
were
measured
in
3236
participants
without
cardiovascular
(CVD)
diabetes
mellitus
from
population-based
Malmö
Diet
Cancer
study.
Metabolites
using
multivariable
adjusted
linear
regressions
followed
by
Bonferroni
correction.
The
dietary
biomarkers
subsequently
related
mortality
during
long-term
follow-up
Cox
proportional
hazards
models.
Results
During
median
time
21.4
years,
603
developed
CVD,
362
843
died.
Five
at
baseline
(p<0.0004)
four
predicted
least
one
studied
end
points
(p<0.05).
Ergothioneine
metabolite
most
strongly
connected
lower
coronary
(HR
per
1
SD
increment
ergothioneine,
HR=0.85,
p=0.01),
(HR=0.79,
p=0.002)
overall
(HR=0.86,
p=4e-5).
Conclusions
that
higher
ergothioneine
an
independent
marker
mortality,
which
potentially
can
be
induced
specific
intake.
Journal of Cheminformatics,
Год журнала:
2015,
Номер
7(1)
Опубликована: Авг. 27, 2015
In
spite
of
its
great
promise,
metabolomics
has
proven
difficult
to
execute
in
an
untargeted
and
generalizable
manner.
Liquid
chromatography-mass
spectrometry
(LC-MS)
made
it
possible
gather
data
on
thousands
cellular
metabolites.
However,
matching
metabolites
their
spectral
features
continues
be
a
bottleneck,
meaning
that
much
the
collected
information
remains
uninterpreted
new
are
seldom
discovered
studies.
These
challenges
require
approaches
consider
compounds
beyond
those
available
curated
biochemistry
databases.Here
we
present
Metabolic
silico
Network
Expansions
(MINEs),
extension
known
metabolite
databases
include
molecules
have
not
been
observed,
but
likely
occur
based
common
biochemical
reactions.
We
utilize
algorithm
called
Biochemical
Integrated
Computational
Explorer
(BNICE)
expert-curated
reaction
rules
Enzyme
Commission
classification
system
propose
novel
chemical
structures
reactions
comprise
MINE
databases.
Starting
from
Kyoto
Encyclopedia
Genes
Genomes
(KEGG)
COMPOUND
database,
contains
over
571,000
compounds,
which
93%
PubChem
database.
these
average
higher
structural
similarity
natural
products
than
KEGG
or
PubChem.
were
able
annotations
for
98.6%
set
667
MassBank
spectra,
14%
more
alone
equivalent
while
returning
far
fewer
candidates
per
spectra
(46
vs.
1715
median
candidates).
Application
MINEs
LC-MS
accurate
mass
enabled
identity
unknown
peak
confidently
predicted.MINE
freely
accessible
non-commercial
use
via
user-friendly
web-tools
at
http://minedatabase.mcs.anl.gov
developer-friendly
APIs.
improve
identification
as
compared
general
whose
results
irrelevant
synthetic
compounds.
Furthermore,
complement
expand
previous
generated
compound
focus
human
metabolism.
actively
developing
database;
future
versions
this
resource
will
incorporate
transformation
spontaneous
advanced
filtering
prioritization
candidate
structures.
Graphical
abstractMINE
database
construction
access
methods.
The
process
constructing
source
is
depicted
left.
methods
accessing
shown
right.
Science Translational Medicine,
Год журнала:
2015,
Номер
7(285)
Опубликована: Апрель 29, 2015
In
a
large-scale
population-based
metabolic
phenotyping
study,
diverse
sets
of
urinary
metabolites,
including
gut
microbial
co-metabolites,
were
reproducibly
associated
with
human
adiposity.
ACS Sensors,
Год журнала:
2021,
Номер
6(5), С. 1745 - 1760
Опубликована: Май 19, 2021
While
wearable
and
mobile
chemical
sensors
have
experienced
tremendous
growth
over
the
past
decade,
their
potential
for
tracking
guiding
nutrition
has
emerged
only
three
years.
Currently,
guidelines
from
doctors
dietitians
represent
most
common
approach
maintaining
optimal
status.
However,
such
recommendations
rely
on
population
averages
do
not
take
into
account
individual
variability
in
responding
to
nutrients.
Precision
recently
address
large
heterogeneity
individuals'
responses
diet,
by
tailoring
based
specific
requirements
of
each
person.
It
aims
at
preventing
managing
diseases
formulating
personalized
dietary
interventions
individuals
basis
metabolic
profile,
background,
environmental
exposure.
Recent
advances
digital
technology,
including
calories-counting
apps
motion
devices,
lack
ability
monitoring
molecular
level.
The
realization
effective
precision
requires
synergy
different
sensor
modalities
order
make
timely
reliable
predictions
efficient
feedback.
This
work
reviews
key
opportunities
challenges
toward
successful
platforms.
Non-invasive
electrochemical
sensors,
capable
temporal
variations
upon
intake
food
supplements,
are
excellent
candidates
bridge
gap
between
biochemical
analyses
a
approach.
By
providing
(previously
unavailable)
information,
offer
guidance
necessary
supporting
behavior
change
managed
nutritional
balance.
Coupling
rapidly
emerging
sensing
devices—generating
enormous
dynamic
analytical
data—with
data-fusion
data-mining
methods
that
identify
patterns
is
expected
revolutionize
decision-making
nutrition.
Oxidative Medicine and Cellular Longevity,
Год журнала:
2019,
Номер
2019, С. 1 - 11
Опубликована: Июнь 16, 2019
Although
some
polyphenol
biomarkers
in
serum
or
urine
have
been
identified
by
untargeted
metabolomics
and
proved
to
reflect
dietary
intake,
only
a
few
of
them
validated
different
studies
populations
with
simple
reliable
targeted
methods.
In
the
present
study,
method
LC/MS/MS
for
measurement
twenty-two
samples
was
established
effectively
assess
habitual
intake
free-living
healthy
Chinese
subjects.
Multivariate
logistic
regression
models
were
used
relationships
overweight
obesity
after
adjusting
potential
confounders.
The
levels
urinary
biomarkers,
especially
gut
microbial
metabolites
polyphenols,
inversely
associated
obesity,
this
association
more
pronounced
inflammatory
groups,
suggesting
that
it
is
great
importance
maintain
at
high
intake-sufficient
polyphenols
chronic
inflammation
than
others.
these
may
offer
valid
alternative
complementary
addition
self-reported
survey
evaluation
investigation
into
their
disease-related
endpoints
large-scale
clinical
epidemiologic
studies.
