Energy Decomposition Analysis for excited states: An Extension based on TDDFT
Physical Chemistry Chemical Physics,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 1, 2025
Energy
decomposition
analysis
(EDA)
is
extended
by
the
excited
state
EDA
(exc-EDA)
using
time-dependent
density
functional
theory
(TDDFT).
Validated
through
studies
on
exciplexes,
it
demonstrates
utility
singlet
fission
in
pentacene.
Language: Английский
Advancements in visible-light-induced reactions via alkenyl radical intermediates
Photochemical & Photobiological Sciences,
Journal Year:
2024,
Volume and Issue:
23(6), P. 1217 - 1228
Published: May 3, 2024
Language: Английский
Chemical- and photo-activation of protein-protein thiol-ene coupling for protein profiling
André Campaniҫo,
No information about this author
Marcin Baran,
No information about this author
Andrew Bowie
No information about this author
et al.
Communications Chemistry,
Journal Year:
2025,
Volume and Issue:
8(1)
Published: Jan. 29, 2025
The
thiol-ene
reaction
between
an
alkene
and
a
thiol
can
be
exploited
for
selective
labelling
of
cysteine
residues
in
protein
profiling
applications.
Here,
we
explore
activation
systems
from
chemical
models
to
complex
cellular
milieus,
using
UV,
visible
wavelength
redox
initiators.
Initial
studies
required
oxygen-free
environment
efficient
coupling
showed
very
poor
when
initiator.
When
was
performed
cell
lysate
models,
all
three
initiation
methods
were
successful.
Faster
observed
as
the
brought
into
proximity
by
binding
event
prior
activation,
leading
quicker
adduct
formation
model
system
than
models.
Furthermore,
protein-protein
coupling,
none
activators
environment.
Taken
together,
these
observations
demonstrate
broad
potential
used
profiling.
Language: Английский
ESI‐MS‐Visualization of Cyanoarene Photocatalysts by Specific Supramolecular Interaction with Br‐Anion
Chemistry - Methods,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Feb. 7, 2025
Abstract
Isophthalonitrile
derivatives
(IPNs)
have
emerged
as
promising
organic
photocatalysts
due
to
their
efficiency
and
accessibility;
however,
inherent
lability
under
light‐induced
conditions
poses
significant
challenges
in
monitoring
transformation
pathways.
Understanding
these
pathways
is
crucial
for
optimizing
photocatalytic
processes
enhancing
reaction
efficiency.
In
this
study,
we
present
a
novel
approach
utilizing
electrospray
ionization
mass
spectrometry
(ESI‐MS)
visualize
cyanoarene
by
taking
advantage
of
specific
supramolecular
interaction
with
bromide
anions.
Our
findings
reveal
that
ions
facilitate
the
detection
IPNs
products
high
sensitivity
selectivity,
even
complex
environments.
The
predominantly
occurs
gas
phase,
minimizing
interference
solution‐based
transformations.
developed
anion‐enhanced
(AED‐ESI‐MS)
not
only
provides
real‐time
insights
into
photocatalyst
behavior
but
also
opens
new
possibilities
detailed
mechanistic
investigation
light‐driven
reactions.
proposed
AED‐ESI‐MS
using
other
anions
may
offer
broad
applicability
be
worth
studying
further
across
various
systems.
Language: Английский
Silver-Mediated Acetoxyselenylation of Alkynes: Mild Stereoselective Access to Bifunctional Alkenes
Xiao‐Yan Bai,
No information about this author
Jiabin Chen,
No information about this author
Hongxuan Du
No information about this author
et al.
Organic Letters,
Journal Year:
2024,
Volume and Issue:
26(46), P. 9811 - 9816
Published: Nov. 13, 2024
Herein,
we
report
a
AgF-mediated
regio-
and
stereoselective
acetoxyselenylation
of
terminal/internal
alkynes
from
iodobenzene
dicarboxylate
[PhI(OCOR)2]
diorganyl
diselenides
via
multiple-site
functionalization
to
afford
β-selenyl
enol
esters
in
good
yields.
Alkynes
derived
bioactive
molecules,
such
as
l(−)-borneol,
l-menthol,
acyne
oxalate,
are
also
suitable
for
this
transformation
the
expected
compounds.
Language: Английский
Regio- and diastereoselective synthesis of cyclobutylated phenothiazines via [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells
Chemical Science,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Dec. 13, 2024
We
have
demonstrated
the
synthesis
of
regio-
and
diastereoselective
cyclobutylated
phenothiazines
via
[2
+
2]
visible-light-irradiated
cycloaddition
wavelength-gated
cycloreversion
inside
live
cells
for
cell
imaging
drug
delivery.
Language: Английский
Sulfur in Waste‐Free Sustainable Synthesis: Advancing Carbon–Carbon Coupling Techniques
Angewandte Chemie,
Journal Year:
2024,
Volume and Issue:
136(18)
Published: Feb. 29, 2024
Abstract
This
review
explores
the
pivotal
role
of
sulfur
in
advancing
sustainable
carbon‐carbon
(C−C)
coupling
reactions.
The
unique
electronic
properties
sulfur,
as
a
soft
Lewis
base
with
significant
mesomeric
effect
make
it
an
excellent
candidate
for
initiating
radical
transformations,
directing
C−H‐activation,
and
facilitating
cycloaddition
C−S
bond
dissociation
These
attributes
are
crucial
developing
waste‐free
methodologies
green
chemistry.
Our
mini‐review
is
focused
on
existing
sulfur‐directed
C−C
techniques,
emphasizing
their
sustainability
comparing
state‐of‐the‐art
methods
traditional
approaches.
highlights
importance
this
research
addressing
current
challenges
organic
synthesis
catalysis.
innovative
use
photocatalytic,
electrochemical
metal‐catalyzed
processes
not
only
exemplifies
advancements
field
but
also
opens
new
avenues
environmentally
friendly
chemical
processes.
By
focusing
atom
economy
waste
minimization,
analysis
provides
broad
appeal
potential
future
developments
Language: Английский
Sulfur in Waste‐Free Sustainable Synthesis: Advancing Carbon–Carbon Coupling Techniques
Angewandte Chemie International Edition,
Journal Year:
2024,
Volume and Issue:
63(18)
Published: Feb. 29, 2024
This
review
explores
the
pivotal
role
of
sulfur
in
advancing
sustainable
carbon-carbon
(C-C)
coupling
reactions.
The
unique
electronic
properties
sulfur,
as
a
soft
Lewis
base
with
significant
mesomeric
effect
make
it
an
excellent
candidate
for
initiating
radical
transformations,
directing
C-H-activation,
and
facilitating
cycloaddition
C-S
bond
dissociation
These
attributes
are
crucial
developing
waste-free
methodologies
green
chemistry.
Our
mini-review
is
focused
on
existing
sulfur-directed
C-C
techniques,
emphasizing
their
sustainability
comparing
state-of-the-art
methods
traditional
approaches.
highlights
importance
this
research
addressing
current
challenges
organic
synthesis
catalysis.
innovative
use
photocatalytic,
electrochemical
metal-catalyzed
processes
not
only
exemplifies
advancements
field
but
also
opens
new
avenues
environmentally
friendly
chemical
processes.
By
focusing
atom
economy
waste
minimization,
analysis
provides
broad
appeal
potential
future
developments
Language: Английский
Thioesterification and Hydrothiolation of α, β‐Unsaturated Esters with Aliphatic Thiols under Mild Conditions
Yijun Shi,
No information about this author
Guoli YAN,
No information about this author
Shuo Yin
No information about this author
et al.
ChemistrySelect,
Journal Year:
2024,
Volume and Issue:
9(39)
Published: Oct. 1, 2024
Abstract
Herein
the
one‐pot
thioesterification
and
hydrothiolation
of
α
,
β
‐unsaturated
esters
with
aliphatic
thiols
was
reported
at
room
temperature.
The
mechanism
indirectly
revealed
which
thioester
intermediate.
advantages
this
method
included
transition‐metal‐free,
mild
conditions,
broad
substrate
scope
good
functional
group
tolerance.
On
other
hand,
temperature
also
developed.
Language: Английский