Results 171 to 180 of about 589,086 (216)

Moldrug algorithm for an automated ligand binding site exploration by 3D aware molecular enumerations. [PDF]

J Cheminform
Martínez León A, Ries B, Hub JS, Magarkar A.   +3 more
europepmc   +1 more source

Charge‐Assisted Hydrogen‐Bonded Organic Frameworks: From Crystal Engineering to Multifunctional Materials

Chemistry–Methods, EarlyView.
This review briefly highlights the construction of charge‐assisted hydrogen‐bonded organic frameworks using a variety of organic acids and organic bases, which feature different hydrogen‐bonding motifs, along with their applications, including negative linear compressibility, proton conduction, atmospheric water harvesting, gas adsorption and ...
Xian‐Xian Xiao, Kai Zheng, Hao‐Ran Yu, Fang‐Di Dong, Ding‐Yi Hu, Rui‐Biao Lin   +5 more
wiley   +1 more source

Artificial Intelligence-Powered Materials Science. [PDF]

Nanomicro Lett
Bai X, Zhang X.
europepmc   +1 more source

Trifluoroacetylated Trimethine, Pentamethine, and Heptamethine Cyanine Dyes: Syntheses, Structures, and Photochemical Properties

ChemPhotoChem, EarlyView.
Herein, the rapid, concise, and straightforward synthesis of trifluoroacetylated trimethine, pentamethine, and heptamethine cyanine dyes is reported via the direct trifluoroacetylation of trimethine, pentamethine, and heptamethine cyanine dyes using commercially available trifluoroacetic anhydride.
Yuya Yamada, Ayumi Okamoto, Shota Mizuno, Taro Udagawa, Tomohiro Agou, Yasuhiro Kubota, Toshiyasu Inuzuka, Kazumasa Funabiki   +7 more
wiley   +1 more source

Density functional tight-binding derived data of gas capture in functionalized carbophenes. [PDF]

Data Brief
Junkermeier CE, Kobebel J, Lavarez K, Adra RM, Yang J, Diaz VA, Paupitz R, Psofogiannaki G.   +7 more
europepmc   +1 more source

Interplay between Structure and Conduction Mechanism of Piperazinium‐Functionalized Poly[Ethylene Pyrrole/Ethylene Ketone/Propylene Ketone] Anion Conducting Membranes

ChemSusChem, EarlyView.
A new anion exchange membrane based on random piperaziniumethyl N‐substituted poly[ethylene pyrrole/ethylene ketone/propylene ketone] (P‐FPKK), with a conductivity of 11.3 mS cm−1 at 60 °C in hydroxyl form, is developed. This material is very promising to overcome the issue of anionic membranes as potential alternatives to proton exchange membranes in ...
Afaaf Rahat Alvi, Keti Vezzù, Francesco Lanero, Paolo Sgarbossa, Angeloclaudio Nale, Vito Di Noto   +5 more
wiley   +1 more source

Cation‐Anion Coordination for Covalent Anchoring of Manganese Oxides to Stabilize Mn Ion Valence and Suppress Jahn‐Teller Distortion and Dissolution

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
This study presents a cation‐anion coordination cathode material (Zn‐MnO2Fx), which regulates the central valence state of Mn ions by covalently anchoring manganese oxides with Zn ions and F ions to inhibit Jahn‐Teller distortion and manganese dissolution. The increasing demand for high‐capacity energy storage, spurred by the growth of renewable energy,
Xiaojie Lu, Lei Chen, Wenxiao Li, Xiaoliang Zhang, Weili Chi, Shulong Li, Chunxia Wang, Yong Liu, Xiangwu Zhang   +8 more
wiley   +1 more source

Beneath the Surface: Investigating Perovskite Solar Cells Under Water

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Underwater Performance of Perovskite Solar Cells Demonstrated robust encapsulation: rigorous corrosion testing and lead leakage analysis of a damaged, immersed device, confirming the encapsulation's durability. Enhanced power conversion efficiency observed underwater: This improvement is attributed to the optical and cooling effects of the water, with ...
Jessica Barichello, Peyman Amiri, Sebastiano Bellani, Cosimo Anichini, Marilena Isabella Zappia, Luca Gabatel, Paolo Mariani, Farshad Jafarzadeh, Francesco Bonaccorso, Francesca Brunetti, Matthias Auf der Maur, Giuseppe Calogero, Aldo Di Carlo, Fabio Matteocci   +13 more
wiley   +1 more source

Force Field X: A computational microscope to study genetic variation and organic crystals using theory and experiment. [PDF]

J Chem Phys
Gogal RA, Nessler AJ, Thiel AC, Bernabe HV, Corrigan Grove RA, Cousineau LM, Litman JM, Miller JM, Qi G, Speranza MJ, Tollefson MR, Fenn TD, Michaelson JJ, Okada O, Piquemal JP, Ponder JW, Shen J, Smith RJH, Yang W, Ren P, Schnieders MJ.   +20 more
europepmc   +1 more source

Atrial fibrillation development in the heart failure population from nationwide British linked electronic health records

ESC Heart Failure, EarlyView.
Abstract Aims Atrial fibrillation (AF) is a frequent comorbidity in heart failure (HF). We analysed factors associated with new‐onset atrial fibrillation in patients with heart failure using linked real‐world UK data from primary and secondary care, along with findings from genome‐wide association studies. Methods and results Among 163 174 participants
Hiroyuki Yoshimura, Nikhil Paliwal, Arturo Gonzalez‐Izquierdo, Chris Finan, Amand Floriaan Schmidt, Gregory Y.H. Lip, Rui Providencia   +6 more
wiley   +1 more source