Molecules,
Journal Year:
2021,
Volume and Issue:
26(8), P. 2268 - 2268
Published: April 14, 2021
In
this
work
hydrogen
bonding
in
a
diverse
set
of
36
unnatural
and
the
three
natural
Watson
Crick
base
pairs
adenine
(A)–thymine
(T),
(A)–uracil
(U)
guanine
(G)–cytosine
(C)
was
assessed
utilizing
local
vibrational
force
constants
derived
from
mode
analysis,
originally
introduced
by
Konkoli
Cremer
as
unique
bond
strength
measure
based
on
spectroscopy.
The
analysis
complemented
topological
electronic
density
orbital
analysis.
most
interesting
findings
our
study
are
that
(i)
is
not
exceptionally
strong
(ii)
N–H⋯N
favorable
both
while
O–H⋯N/O
bonds
less
found
at
all
pairs.
addition,
important
role
non-classical
C–H⋯N/O
for
stabilization
revealed,
especially
C–H⋯O
Hydrogen
modeled
DNA
via
QM/MM
approach
showed
environment
increases
central
bonds,
same
time
decreases
N–H⋯O
bond.
However,
general
trends
observed
gas
phase
calculations
remain
unchanged.
new
methodology
presented
tested
provides
bioengineering
community
with
an
efficient
design
tool
to
assess
predict
type
artificial
Chemical Society Reviews,
Journal Year:
2021,
Volume and Issue:
50(15), P. 8596 - 8638
Published: Jan. 1, 2021
Various
eutectic
systems
have
been
proposed
and
studied
over
the
past
few
decades.
Most
of
studies
focused
on
three
typical
types
eutectics:
metals,
salts,
deep
solvents.
On
one
hand,
they
are
all
systems,
their
principle
is
same.
other
representative
inorganic
organic
substances,
respectively.
They
applications
in
almost
fields
related
to
chemistry.
Their
different
but
overlapping
stem
from
very
properties.
In
addition,
proposal
new
has
greatly
boosted
development
cross-field
research
involving
chemistry,
materials,
engineering,
energy.
The
goal
this
review
provide
a
comprehensive
overview
these
eutectics
describe
task-specific
strategies
address
growing
demands.
Chemistry - An Asian Journal,
Journal Year:
2019,
Volume and Issue:
14(16), P. 2760 - 2769
Published: June 26, 2019
Hydrogen
bonds
are
a
complex
interplay
between
different
energy
components,
and
their
nature
is
still
subject
of
an
ongoing
debate.
In
this
minireview,
we
therefore
provide
overview
the
perspectives
on
hydrogen
bonding.
This
will
be
done
by
discussing
following
individual
components:
1)
electrostatic
interactions,
2)
charge-transfer
3)
π-resonance
assistance,
4)
steric
repulsion,
5)
cooperative
effects,
6)
dispersion
interactions
7)
secondary
interactions.
We
demonstrate
how
these
energetic
factors
essential
in
correct
description
bond,
discuss
several
examples
systems
whose
geometrical
features
not
captured
easy-to-use
predictive
models.
International Journal of Food Science & Technology,
Journal Year:
2019,
Volume and Issue:
55(1), P. 33 - 45
Published: Aug. 3, 2019
Summary
Molecular
docking
is
a
theoretical
simulation
method
based
on
bioinformatics,
which
studies
the
interaction
between
molecules
(such
as
ligands
and
receptors),
predicts
their
binding
modes
affinity
via
computer
platform.
This
technology
acts
promising
mean
in
medicinal
chemistry
such
structure‐based
rational
drug
design,
accepted
by
researchers
scientific
community.
During
recent
years,
various
fundamental
involving
biomolecular
food
matrix
have
gradually
emerged.
The
remarkable
advantages
of
molecular
predicting
experiments
are
attracting
increasing
attention
for
its
application
potential
fields.
review
presents
theory
software
development
docking,
emphasises
field
science,
including
nutritional
components
safety.
Moreover,
operational
mechanisms
further
summarised
this
review.
European Journal of Organic Chemistry,
Journal Year:
2020,
Volume and Issue:
2020(34), P. 5473 - 5487
Published: June 8, 2020
Noncovalent
interactions
like
halogen,
chalcogen,
and
pnictogen
bonding
are
known
for
a
very
long
time.
During
the
last
decade,
these
have
found
different
applications
in
catalysis.
These
forces
often
called
σ‐hole
which
can
be
explained
by
anisotropic
distribution
of
electron
density
around
atoms.
In
this
MiniReview,
we
will
present
recent
catalysis
discuss
experimental
computational
investigations
to
gain
more
insights
into
underlying
mechanisms.
Chemical Reviews,
Journal Year:
2022,
Volume and Issue:
122(14), P. 12308 - 12369
Published: May 20, 2022
Transition
metal
catalysis
is
of
utmost
importance
for
the
development
sustainable
processes
in
academia
and
industry.
The
activity
selectivity
complexes
are
typically
result
interplay
between
ligand
properties.
As
can
be
chemically
altered,
a
large
research
focus
has
been
on
development.
More
recently,
it
recognized
that
further
control
over
achieved
by
using
“second
coordination
sphere”,
which
seen
as
region
beyond
direct
sphere
center.
Hydrogen
bonds
appear
to
very
useful
interactions
this
context
they
have
sufficient
strength
directionality
exert
second
sphere,
yet
hydrogen
dynamic,
allowing
fast
turnover.
In
review
we
highlighted
several
key
features
bonding
summarized
use
program
sphere.
Such
bridging
two
ligands
coordinated
center
effectively
lead
supramolecular
bidentate
ligands.
addition,
used
preorganize
substrate
Both
strategies
catalysts
with
superior
properties
variety
catalyzed
transformations,
including
(asymmetric)
hydrogenation,
hydroformylation,
C–H
activation,
oxidation,
radical-type
photochemical
reactions.
JACS Au,
Journal Year:
2022,
Volume and Issue:
2(3), P. 543 - 561
Published: Feb. 1, 2022
Ionic
liquids
(ILs)
hold
great
promise
in
the
fields
of
green
chemistry,
environmental
science,
and
sustainable
technology
due
to
their
unique
properties,
such
as
a
tailorable
structure,
various
types
available,
environmentally
friendly
features.
On
basis
multiscale
simulations
experimental
characterizations,
two
features
ILs
are
follows:
(1)
strong
coupling
interactions
between
electrostatic
forces
hydrogen
bonds,
namely
Z-bond,
(2)
semiordered
structure
properties
ultrathin
films,
specifically
regarding
quasi-liquid.
In
accordance
with
aforementioned
theoretical
findings,
many
cutting-edge
applications
have
been
proposed:
for
example,
CO2
capture
conversion,
biomass
conversion
utilization,
energy
storage
materials.
Although
substantial
progress
has
made
recently
field
ILs,
considerable
challenges
remain
understanding
nature
devising
especially
terms
e.g.
situ/real-time
observation
highly
precise
Z-bond
this
Perspective,
we
review
recent
developments
IL
research
community
provide
insights
into
function
which
will
facilitate
future
applications.
ACS Omega,
Journal Year:
2023,
Volume and Issue:
8(25), P. 22268 - 22284
Published: June 13, 2023
Proteins
and
their
assemblies
are
fundamental
for
living
cells
to
function.
Their
complex
three-dimensional
architecture
its
stability
attributed
the
combined
effect
of
various
noncovalent
interactions.
It
is
critical
scrutinize
these
interactions
understand
role
in
energy
landscape
folding,
catalysis,
molecular
recognition.
This
Review
presents
a
comprehensive
summary
unconventional
interactions,
beyond
conventional
hydrogen
bonds
hydrophobic
which
have
gained
prominence
over
past
decade.
The
discussed
include
low-barrier
bonds,
C5
C-H···π
sulfur-mediated
n
→
π*
London
dispersion
halogen
chalcogen
tetrel
bonds.
focuses
on
chemical
nature,
interaction
strength,
geometrical
parameters
obtained
from
X-ray
crystallography,
spectroscopy,
bioinformatics,
computational
chemistry.
Also
highlighted
occurrence
proteins
or
complexes
recent
advances
made
toward
understanding
biomolecular
structure
Probing
diversity
we
determined
that
variable
frequency
ability
synergize
with
one
another
important
not
only
ab
initio
prediction
but
also
design
new
functionalities.
A
better
will
promote
utilization
designing
engineering
ligands
potential
therapeutic
value.
