Results 221 to 230 of about 212,928 (268)

Switching between photochromism and photoluminescence in Schiff base derivatives by molecular design of end groups. [PDF]

Chem Sci
Zhang Q, Zhou X, Shan X, He F, Bao Y, Xu H, Zhu C, Zhu B.   +7 more
europepmc   +1 more source

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

Proline-Free Local Turn via N-Oxidation: Crystallographic and Solution Evidence for a Six-Membered N-O⋯H-N Ring. [PDF]

Molecules
Zheng R, Zhao W, Yuan S, Wang T, Lu W, Meng Q, Yang L, Sun D.   +7 more
europepmc   +1 more source

Switchable Supramolecular Adhesive by Tuning Interfacial Bonding and Modulus

Advanced Functional Materials, EarlyView.
The supramolecular adhesive (HyDiP) shows reversible adhesion and recyclability. In the dehydrated state, it is dense, stiff (E ≈445 MPa), transparent, and provides strong bonding with adhesion strengths up to 4.65 MPa. In the hydrated state, it becomes porous, soft (E ≈0.11 MPa), and detaches easily, enabling sustainable high‐strength applications ...
Rumin Fu, Cairong Xiao, Zihao Du, Changhong Linghu, Yongdong Shi, Chuyang Xiang, Mingxin Wan, Guoxin Tan, Limin Lu, Chengyun Ning, K Jimmy Hsia   +10 more
wiley   +1 more source

Cheminformatics-driven discovery of natural isoquinoline alkaloid inhibitors of Beta-secretase I for Alzheimer's management. [PDF]

PLoS One
Ahmad I, Waheed S, Alotaibi BS, Abbasi SW, Khan MU, Rahman FU, Dib H, Fawy KF, Nishan U, Ali A, Zaman A, Shah M.   +11 more
europepmc   +1 more source

Chiral SURMOFs for Vibrational Circular Dichroism: Multiscale Modeling and Experimental Insights

Advanced Functional Materials, EarlyView.
The use of solid‐state vibrational circular dichroism (VCD) for MOFs is still somewhat unexplored, and in this work, it is shown that chiral surface‐anchored MOFs (SURMOFs) grown on CaF2 provide an excellent platform for VCD. Experimental results are validated through multiscale modeling, showing strong agreement across multiple spectroscopic ...
Ana C. Fingolo, Nadine von Coelln, Benedikt Zerulla, Marjan Krstić, Christian Huck, Thomas G. Mayerhöfer, Christoph Krafft, Petra Tegeder, Carsten Rockstuhl, Christof Wöll   +9 more
wiley   +1 more source

Environmental Contributions to Proton Sharing in Protein Low-Barrier Hydrogen Bonds. [PDF]

Biochemistry
Lin J, Gerlits O, Kneller DW, Weiss KL, Coates L, Clarke JL, Hix MA, Effah SY, Kovalevsky A, Walker AR, Wilson MA.   +10 more
europepmc   +1 more source

Photothermal Macroporous Lignin Cryogels for Off‐Grid, Continuous Atmospheric Water Collection via Interlayer Heat Recovery

Advanced Functional Materials, EarlyView.
Photothermal, macroporous lignin‐based cryogels are engineered to convert sunlight into low‐grade heat. Integrated as stacked beds in a drum‐type device, a thin copper interlayer transfers waste heat between beds, enabling interlayer heat recovery and continuous solar cycling.
Jie Yan, Jiqing Lu, Tian Bai, Lin Li, Zhaoxuan Niu, Yiying Yue, Wanli Cheng, Guangping Han, Orlando J. Rojas   +8 more
wiley   +1 more source

Salt forms of a thioamide: protonation of 1-(2,6-dimethylphenyl)thiourea. [PDF]

Acta Crystallogr C Struct Chem
Donnachie K, Gibson B, Kennedy AR, MacCall C, Reid M.   +4 more
europepmc   +1 more source

Silver Ion‐Mediated [hk1]‐Oriented Sb2Se3 Crystal Growth for Efficient Photoelectrochemical Hydrogen Evolution

Advanced Functional Materials, EarlyView.
Ag+‐mediated hydrothermal crystal engineering promotes preferential [hk1]‐oriented growth of Sb2Se3 via an ultrathin MoOx interlayer, improving crystallinity and suppressing non‐radiative recombination. The optimized Ag+ treatment photocathode delivers 24.7 mA cm−2 at 0 VRHE and improved stability, revealing an ion‐modulated route to high‐performance ...
Ziying Zhang, Zhenbin Wang, Mirjana Dimitrievska, Miloš Baljozović, Yongping Gan, Pardis Adams, Sanghyun Bae, Thomas Moehl, Wenzhe Niu, Xiang jiu Guan, S. David Tilley   +10 more
wiley   +1 more source