Journal of the American Chemical Society,
Год журнала:
2023,
Номер
145(49), С. 26520 - 26524
Опубликована: Ноя. 29, 2023
Herein,
we
demonstrate
the
selective
dissipative
and
orthogonal
actuation
of
two
distinct
molecular
devices
controlled
by
alternate
fuel
use.
When
multicomponent
ensemble
[2]rotaxane
1
turnstile
[Cu(2)(3)]+
was
charged
with
AgBF4
as
chemical
(Fuel
1)
together
NEt3/PhCH2Br
(cofuels),
transiently
formed
[Ag(1)]+
showed
a
stochastic
shuttling
silver
macrocycle
between
degenerate
triazole
stations
on
thread
(k298
=
1.2
×
105
s–1),
whereas
unperturbed.
Instead,
treatment
mixture
PPh3
an
alternative
2)
in
presence
oxidant
4
(cofuel)
generated
complex
[Cu(3)(PPh3)2]+
transient
thermal
motion
rotor
2
4.9
104
rotaxane
stayed
dormant.
Thus,
fuels
selectively
orthogonally
activated
from
mixture.
In
total,
four
interference-free
cycles
were
demonstrated
using
alternating
additions.
Chemical Communications,
Год журнала:
2022,
Номер
58(100), С. 13873 - 13886
Опубликована: Янв. 1, 2022
The
host–guest
chemistry
of
metal–organic
cages
can
be
modified
through
tailoring
structural
aspects
such
as
size,
shape
and
functionality.
In
this
review,
strategies,
opportunities
challenges
molecular
engineering
are
discussed.
Chem,
Год журнала:
2024,
Номер
10(9), С. 2792 - 2806
Опубликована: Май 29, 2024
The
self-assembly
of
metal-organic
cages
enables
the
rapid
creation
atomically
defined,
three-dimensional,
nanoscale
architectures
reminiscent
proteins.
However,
existing
are
almost
exclusively
built
from
rigid
and
flat
aromatic
panels,
limiting
binding
selectivity
and,
often,
water
solubility.
Herein,
we
disclose
a
new
class
cages—metal-peptidic
cages—which
utilize
water-soluble,
chiral,
helical
oligoproline
strands
varying
lengths
to
generate
highly
anisotropic
nanospaces.
Further,
find
that
formation
cis
isomer
cage
is
strongly
favored
an
emergent
property
using
complex
chiral
building
blocks
in
defined
We
demonstrate
use
peptidic
allows
us
rapidly
tune
size
nanospace
formed,
c.
1
4
nm,
biologically
relevant
components
targeted
therapeutic
molecules,
highlighting
potential
these
systems
for
selective
drug
delivery.
Journal of Chemical Information and Modeling,
Год журнала:
2024,
Номер
64(14), С. 5604 - 5616
Опубликована: Июль 9, 2024
Organic(porous)
and
metal–organic
cages
are
promising
biomimetic
platforms
with
diverse
applications
spanning
recognition,
sensing,
catalysis.
The
key
to
the
emergence
of
these
functions
is
presence
well-defined
inner
cavities
capable
binding
a
wide
range
guest
molecules
modulating
their
properties.
However,
despite
myriad
cage
architectures
currently
available,
rational
design
structurally
functional
specific
host–guest
properties
remains
challenging.
Efficiently
predicting
such
critical
for
accelerating
discovery
novel
cages.
Herein,
we
introduce
CageCavityCalc
(C3),
Python-based
tool
calculating
cavity
size
molecular
code
available
on
GitHub
at
https://github.com/VicenteMartiCentelles/CageCavityCalc.
C3
utilizes
algorithm
that
enables
rapid
calculation
sizes
structures
porous
systems.
Moreover,
facilitates
easy
visualization
computed
alongside
hydrophobic
electrostatic
potentials,
providing
insights
into
interactions
within
cage.
Furthermore,
calculated
can
be
visualized
using
widely
software,
as
PyMol,
VMD,
or
ChimeraX.
To
enhance
user
accessibility,
PyMol
plugin
has
been
created,
allowing
nonspecialists
use
this
without
requiring
computer
programming
expertise.
We
anticipate
deployment
computational
will
significantly
streamline
calculations,
thereby
Angewandte Chemie International Edition,
Год журнала:
2023,
Номер
62(51)
Опубликована: Окт. 27, 2023
Metal-organic
cages
(MOCs)
are
popular
host
architectures
assembled
from
ligands
and
metal
ions/nodes.
Assembling
structurally
complex,
low-symmetry
MOCs
with
anisotropic
cavities
can
be
limited
by
the
formation
of
statistical
isomer
libraries.
We
set
out
to
investigate
use
primary
coordination-sphere
engineering
(CSE)
bias
selectivity
within
homo-
heteroleptic
Pd
European Journal of Organic Chemistry,
Год журнала:
2023,
Номер
26(18)
Опубликована: Март 3, 2023
Abstract
The
introduction
of
enhanced
functionalization
is
a
key
aspect
in
the
current
design
cage
chemistry.
At
moment,
several
approaches
are
intensively
investigated.
synthesis
compounds
that
display
endohedral
plays
role
among
them.
Here,
studies
reactions
occur
endohedral‐functionalized
reviewed.
After
an
trends
cage‐chemistry
discussion
endohedral‐cage
divided
into
three
sections.
These
are:
1)
Endohedral
groups
by
themselves
functional,
2)
can
bind
to
transition‐metal
complex
and
3)
metal.
article
closes
with
outlook
on
additional
developments
field
cage‐compounds,
which
may
contribute
future
towards
reactivity
compounds.
Angewandte Chemie International Edition,
Год журнала:
2023,
Номер
62(27)
Опубликована: Апрель 26, 2023
Coordination
cages
can
be
used
for
enantio-
and
regioselective
catalysis
the
selective
sensing
separation
of
isomeric
guest
molecules.
Here,
stereoisomers
a
family
coordination
are
resolved
using
ultra-high-resolution
cyclic
ion-mobility
mass
spectrometry
(cIM-MS).
The
observed
ratio
diastereomers
is
dependent
on
both
metal
ion
counter
ion.
Moreover,
point
groups
assigned
through
complementary
NMR
experiments.
This
method
enables
identification
interrogation
individual
isomers
in
complex
mixtures
which
cannot
performed
solution.
Furthermore,
these
techniques
allow
stability
within
mixture
to
probed,
with
T-symmetric
this
case
shown
more
robust
than
C3
S4
analogues.
Chemical Communications,
Год журнала:
2024,
Номер
60(43), С. 5573 - 5585
Опубликована: Янв. 1, 2024
Metal-organic
self-assembly
with
flexible
moieties
is
a
budding
field
of
research
due
to
the
possibility
formation
unique
architectures.
Tetrazole,
characterised
by
four
nitrogen
atoms
in
five-member
ring,
exhibits
immense
potential
as
component.
Tetrazole
offers
coordination
sites
for
binding
metal
centre
nine
distinct
modes,
leading
various
assemblies.
This
review
highlights
different
polymeric
and
discrete
tetrazole-based
assemblies
their
functions.
The
meticulous
manipulation
stoichiometry,
ligands,
ions
required
constructing
has
also
been
discussed.
applications
these
architectures
separation,
catalysis
detection
have
accentuated.
latter
section
consolidates
cage
composites,
highlighting
cell
imaging
photocatalytic
applications.
