Journal of Chemical Information and Modeling,
Год журнала:
2019,
Номер
60(1), С. 268 - 278
Опубликована: Дек. 26, 2019
The
design
of
novel
stimuli-responsive
supramolecular
systems
based
on
host–guest
chemistry
implies
a
thorough
understanding
the
noncovalent
interactions
involved.
In
this
regard,
some
computational
tools
enabling
extraction
signatures
from
local
descriptors
electron
density
have
been
previously
proposed.
Although
very
useful
to
detect
existence
such
interactions,
these
analyses
provide
only
semi-quantitative
description,
which
represents
limitation.
work,
we
present
tool
atomic
descriptor
IGM-δginter/At,
is
able
decompose
fragment
interaction
into
contributions.
Then,
role
played
by
each
atom
in
formation
assembly
quantified
an
integrated
Δginter/At
score.
Herein,
apply
IGM-Δginter/At
approach
challenging
systems,
including
multimetallic
arrays,
buckycatchers,
and
organic
assemblies.
These
exhibit
unique
structural
features
that
make
it
difficult
determine
host/guest
atoms
contribute
most
guest
encapsulation.
Here,
score
proves
be
appealing
shed
light
accommodation
per-atom
basis
could
rational
more
selective
target
agents.
We
strongly
believe
will
for
experimental
teams
devoted
synthesis
chemistry.
Chemical Reviews,
Год журнала:
2018,
Номер
119(1), С. 322 - 477
Опубликована: Дек. 3, 2018
There
is
great
need
for
stand-alone
luminescence-based
chemosensors
that
exemplify
selectivity,
sensitivity,
and
applicability
overcome
the
challenges
arise
from
complex,
real-world
media.
Discussed
herein
are
recent
developments
toward
these
goals
in
field
of
supramolecular
luminescent
chemosensors,
including
macrocycles,
polymers,
nanomaterials.
Specific
focus
placed
on
development
new
macrocycle
hosts
since
2010,
coupled
with
considerations
underlying
principles
chemistry
as
well
analytes
interest
common
luminophores.
State-of-the-art
fields
polymer
nanomaterial
sensors
also
examined,
some
remaining
unsolved
area
discussed.
Chemical Reviews,
Год журнала:
2020,
Номер
120(13), С. 6070 - 6123
Опубликована: Май 19, 2020
Covalent
polymers
connected
by
non-covalent
interactions
constitute
a
fascinating
set
of
materials
known
as
supramolecular
polymer
networks
(SPNs).
A
key
feature
SPNs
is
that
the
underlying
covalent
endow
resulting
self-assembled
with
features,
such
structural
and
mechanical
integrity,
good
processability,
recyclability,
stimuli-responsiveness,
self-healing,
shape
memory,
are
not
recapitulated
in
case
classic
systems.
The
unique
nature
derives
from
controlled
marriage
traditional
macrocycle-based
host-guest
interactions.
As
consequence,
polymeric
have
played
important
roles
number
diverse
fields,
including
science,
chemistry,
biomedical
materials,
information
storage
technology.
In
this
Review,
we
summarize
advances
made
area
functional
SPNs,
focus
on
original
literature
reports
appearing
past
five
years.
treatment
organized
according
to
used
produce
various
SPNs.
role
backbones
also
discussed.
Advanced Materials,
Год журнала:
2019,
Номер
32(3)
Опубликована: Фев. 18, 2019
Cyclodextrins
(CDs),
which
are
a
class
of
cyclic
oligosaccharides
extracted
from
the
enzymatic
degradation
starch,
often
utilized
in
molecular
recognition
and
assembly
constructs,
primarily
via
host-guest
interactions
water.
In
this
review,
recent
progress
CD-based
supramolecular
nanoassemblies
that
sensitive
to
chemical,
biological,
physical
stimuli
is
updated
reviewed,
intriguing
examples
biological
functions
these
presented,
including
pH-
redox-responsive
drug
gene
delivery,
enzyme-activated
specific
cargo
release,
photoswitchable
morphological
interconversion,
microtubular
aggregation,
cell-cell
communication,
as
well
geomagnetism-controlled
nanosystem
for
suppression
tumor
invasion
metastasis.
Moreover,
future
perspectives
challenges
fabrication
intelligent
biofunctional
materials
also
discussed
at
end
expected
promote
translational
development
nanomaterials
biomedical
field.
Theranostics,
Год журнала:
2019,
Номер
9(11), С. 3041 - 3074
Опубликована: Янв. 1, 2019
Macrocyclic
hosts,
such
as
cyclodextrins,
calixarenes,
cucurbiturils,
and
pillararenes,
exhibit
unparalleled
advantages
in
disease
diagnosis
therapy
over
the
past
years
by
fully
taking
advantage
of
their
host-guest
molecular
recognitions.
The
dynamic
nature
non-covalent
interactions
selective
complexation
endow
resultant
nanomaterials
with
intriguing
properties,
holding
promising
potentials
theranostic
fields.
Interestingly,
differences
microenvironment
between
abnormal
normal
cells/tissues
can
be
employed
stimuli
to
modulate
interactions,
realizing
purpose
precise
specific
delivery
drugs
lesion
sites.
In
this
review,
we
summarize
progress
supramolecular
theranostics
on
basis
chemistry
benefiting
from
fantastic
topological
structures
outstanding
chemistry.
These
state-of-the-art
examples
provide
new
methodologies
overcome
obstacles
faced
traditional
systems,
promoting
clinical
translations.
Scientia Pharmaceutica,
Год журнала:
2019,
Номер
87(4), С. 33 - 33
Опубликована: Ноя. 20, 2019
Cyclodextrins
are
widely
used
excipients,
composed
of
glucopyranose
units
with
a
cyclic
structure.
One
their
most
important
properties,
is
that
inner
cavity
hydrophobic,
while
surface
hydrophilic.
This
enables
them
for
the
complex
formation
lipophilic
molecules.
They
have
several
applications
in
pharmaceutical
field
like
solubility
enhancers
or
building
blocks
larger
drug
delivery
systems.
On
other
hand,
they
numerous
effects
on
cells
biological
barriers.
In
this
review
properties
cyclodextrins
and
cyclodextrin-based
systems
summarized
special
focus
activity.
Anais da Academia Brasileira de Ciências,
Год журнала:
2018,
Номер
90(1 suppl 2), С. 993 - 1026
Опубликована: Янв. 1, 2018
This
review
has
two
parts.
The
first
one
gives
an
approach
to
interdisciplinary
studies
against
cancer
carried
out
by
many
scientists
using
porphyrin-type
substrates
as
photosensitizers
in
PDT.
Intensive
were
performed
for
almost
six
decades.
successes
really
started
1993
with
the
formulation
patented
under
trade
name
Photofrin,
which
was
immediately
approved
several
countries
treat
certain
types
of
cancer.
Photofrin
is
still
used
although
negative
features
soon
became
well
known.
That
motivated
search
better
new
photosensitizers.
Several
ones
developed,
evaluated
and
a
few
them
had
clinical
approval.
group
includes
porphyrin
derivatives
pro-drugs
(aminolevulinic
acid
its
alkyl
esters).
Oncological,
dermatological
ophthalmic
applications
are
now
taking
place
benefit
mankind.
second
part
this
related
work
Aveiro
at
authors
University
on
synthesis
biological
evaluation
potential
PDT
Not
only
synthetic
methodologies
mainly
porphyrins
chlorins
developed
but
also
other
macrocycles
phthalocyanine
corrole
have
entered
same
"pipeline".
In
vivo
vitro
evaluations
took
studies.
