Synergistic in-vitro inhibition of lung cancer cells using L-carnosine-capped copper nanoclusters
Inorganic Chemistry Communications,
Journal Year:
2025,
Volume and Issue:
unknown, P. 114278 - 114278
Published: March 1, 2025
Language: Английский
Inherent directing group-enabled Co(iii)-catalyzed C–H allylation/vinylation of isoquinolones
Chemical Communications,
Journal Year:
2024,
Volume and Issue:
60(43), P. 5626 - 5629
Published: Jan. 1, 2024
Isoquinolones
undergo
efficient
Co(
iii
)-catalyzed
C8-allylation
and
vinylation,
utilizing
the
oxo
group
of
isoquinolones
as
an
inherent
directing
group.
The
resulting
allylated
vinylated
are
further
transformed
into
important
building
blocks.
Language: Английский
Chemoinformatics exploration of synthetically accessible N-heterocycles: uncovering new antifungal lead candidates
In Silico Pharmacology,
Journal Year:
2025,
Volume and Issue:
13(2)
Published: May 5, 2025
Language: Английский
Modelling on a Biomimetic [Cu−O−Cu]2+–mediated Methane–to–Methanol Conversion Unveils the Site for Methane Activation
Chemistry - An Asian Journal,
Journal Year:
2024,
Volume and Issue:
19(14)
Published: April 17, 2024
Abstract
The
Cu−O−Cu
core
exhibits
methane‐to‐methanol
conversion,
mirroring
the
reactivity
of
copper–containing
enzyme
pMMO.
Herein,
we
computationally
examined
a
biomimetic
towards
methane–to–methanol
conversion.
oxygen
atom
abstracts
hydrogen
present
in
C−H
bond
methane.
spin
density
at
bridging
helps
to
abstract
from
bond.
We
modulated
by
substituting
only
single
copper
metals
(M)
such
as
Fe,
Co,
and
Ag.
These
substitutions
result
bimetallic
[Cu−O−M]
2+
models.
observed
that
energy
barriers
for
activation
step
subsequent
rebound
vary
with
metal
M.
[Cu−O−Ag]
highest
M2M
while
[Cu−O−Fe]
displays
lowest
reactivity.
To
understand
different
these
models
employed
distortion‐interaction
analysis,
orbital
quantum
theory
atoms
molecules
analysis.
Orbital
analysis
reveals
all
four
adducts
follow
transfer
mechanism
activation.
Further,
higher
on
leads
lower
barrier.
Language: Английский
Ru(II)-Catalyzed C7 Trifluoromethylthiolation and Thioarylation of Indolines Using Bench-Stable Reagents
Sumit Sharma,
No information about this author
Sachin,
No information about this author
Devesh Chandra
No information about this author
et al.
The Journal of Organic Chemistry,
Journal Year:
2024,
Volume and Issue:
89(21), P. 15893 - 15900
Published: Oct. 16, 2024
A
Ru(II)-catalyzed
C(sp2)-H
trifluoromethylthiolation
and
thioarylation
of
indolines
using
bench-stable
reagents
have
been
explored.
Diversely
substituted
were
functionalized
at
C7
position
in
good
to
excellent
yields.
Radical
quenching,
deuterium
labeling,
KIE,
reaction
order
determination
experiments
performed
support
the
proposed
pathway.
Gram-scale
synthesis
post-transformation
synthesized
products
also
carried
out
demonstrate
applicability
developed
catalytic
protocol.
Language: Английский
Co(III) ‐Catalyzed Regioselective [4+2]‐Annulation of N‐Chlorobenzamide with Allenes and Vinyl Acetate
Asian Journal of Organic Chemistry,
Journal Year:
2023,
Volume and Issue:
13(1)
Published: Nov. 28, 2023
Abstract
A
regioselective
annulation
protocol
of
N
‐chlorobenzamide
with
allenes
and
vinyl
acetate
is
reported
using
a
less
expensive
catalytic
system,
i.
e
.
Co(III)
catalysis
Na
2
CO
3
as
base.
(CO)
NH−Cl
acts
both,
an
internal
oxidant
directing
group.
Allenes
are
successfully
annulated
‐chlorobenzamide,
providing
different
exocyclic
isoquinolone
derivatives
in
good
to
moderate
yield.
Notably,
acetylene
surrogate
undergoes
the
developed
provide
excellent
Interestingly,
situ
deprotection
acetyl
group
allowed
quantitative
synthesis
hydroxyisoquinolone.
Language: Английский
Orbital‐Driven Insights into Enantioselective Hydrofunctionalization of Alkenes Catalyzed by Co‐Salen Complexes: Study on Singlet and Triplet States
ChemPlusChem,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Oct. 10, 2024
The
Co(salen)
([LCo(II)])
mediated
hydrofunctionalization
of
alkenes
is
a
highly
significant
method
for
forming
enantioselective
products.
In
this
work,
we
conducted
comprehensive
computational
investigations
to
gain
insights
the
reaction
mechanism.
orbital
analysis
and
intrinsic
bond
(IBO)
were
utilized
unravel
flow
electrons
during
progress
reaction.
We
explored
various
spin
state
surfaces
understand
possible
pathways
Initially,
[LCo(II)]
reacts
with
an
oxidant
tertbutyl
peroxybenzoate,
yielding
[LCo(III)OC(O)Ph]
[LCo(III)O
Language: Английский
Cobalt Catalysis: C7 Alkynylation of Indolines with a Bromoalkyne
Synthesis,
Journal Year:
2023,
Volume and Issue:
56(05), P. 751 - 757
Published: Nov. 28, 2023
Abstract
A
method
for
the
cobalt-catalyzed
C-7
alkynylation
of
indolines
with
(bromoethynyl)triisopropylsilane
under
mild
conditions
is
described,
leading
to
a
diverse
range
alkynylated
in
good
excellent
yields.
Kinetic
isotope
studies
indicate
that
formation
cobaltacycle
might
be
turnover-limiting
step.
Additionally,
gram-scale
synthesis
and
oxidation
an
indoline
indole
have
been
carried
out
successfully
Language: Английский