Controlled Formation of Heteroleptic [Pd2(La)2(Lb)2]4+ Cages
Metallosupramolecular architectures are beginning to be exploited for a range of
applications including drug delivery, catalysis, molecular recognition, and sensing. For the …
applications including drug delivery, catalysis, molecular recognition, and sensing. For the …
Molecular dynamics simulations reveal that water diffusion between graphene oxide layers is slow
R Devanathan, D Chase-Woods, Y Shin… - Scientific reports, 2016 - nature.com
Membranes made of stacked layers of graphene oxide (GO) hold the tantalizing promise of
revolutionizing desalination and water filtration if selective transport of molecules can be …
revolutionizing desalination and water filtration if selective transport of molecules can be …
Condensation and esterification reactions of alkanals, alkanones, and alkanols on TiO2: Elementary steps, site requirements, and synergistic effects of bifunctional …
Rates and selectivity of TiO 2-catalyzed condensation of C 3 oxygenates (propanal,
acetone) are limited by ubiquitous effects of side reactions, deactivation, and thermodynamic …
acetone) are limited by ubiquitous effects of side reactions, deactivation, and thermodynamic …
A real-world perspective on molecular design: Miniperspective
We present a series of small molecule drug discovery case studies where computational
methods were prospectively employed to impact Roche research projects, with the aim of …
methods were prospectively employed to impact Roche research projects, with the aim of …
MIDA boronates are hydrolysed fast and slow by two different mechanisms
JA Gonzalez, OM Ogba, GF Morehouse, N Rosson… - Nature …, 2016 - nature.com
MIDA boronates (N-methylimidodiacetic boronic acid esters) serve as an increasingly
general platform for small-molecule construction based on building blocks, largely because …
general platform for small-molecule construction based on building blocks, largely because …
A low-temperature, solution-processable organic electron-transporting layer based on planar coronene for high-performance conventional perovskite solar cells
A low-temperature, solution-processable organic electron-transporting material (ETM) is
successfully developed for efficient conventional nip perovskite solar cells (PVSCs). This …
successfully developed for efficient conventional nip perovskite solar cells (PVSCs). This …
Structural and spectroscopic study of a pectin isolated from citrus peel by using FTIR and FT-Raman spectra and DFT calculations
LC Bichara, PE Alvarez, MVF Bimbi, H Vaca… - Infrared Physics & …, 2016 - Elsevier
In this work, pectin isolated from citrus peel with a degree of esterification of 76% was
characterized by Fourier Transform Infrared (FTIR) and Fourier Transform Raman (FT …
characterized by Fourier Transform Infrared (FTIR) and Fourier Transform Raman (FT …
Effect of substituents on the electronic structure and degradation process in carbazole derivatives for blue OLED host materials
We investigate the dissociation mechanism of the C–N bond between carbazole and
dibenzothiophene in carbazole-dibenzothiophene (Cz-DBT) positional isomers, selected as …
dibenzothiophene in carbazole-dibenzothiophene (Cz-DBT) positional isomers, selected as …
High‐performance all‐polymer photoresponse devices based on acceptor–acceptor conjugated polymers
Three acceptor–acceptor (A–A) type conjugated polymers based on isoindigo and
naphthalene diimide/perylene diimide are designed and synthesized to study the effects of …
naphthalene diimide/perylene diimide are designed and synthesized to study the effects of …
Structure-mechanism-based engineering of chemical regulators targeting distinct pathological factors in Alzheimer's disease
The absence of effective therapeutics against Alzheimer's disease (AD) is a result of the
limited understanding of its multifaceted aetiology. Because of the lack of chemical tools to …
limited understanding of its multifaceted aetiology. Because of the lack of chemical tools to …