Results 191 to 200 of about 37,517 (252)

Unlocking n‐alk‐1‐ynes conformers: Quantum “trigger finger” versus “stiff joint” conformations

Smart Molecules, EarlyView.
Quantum chemical analysis reveals the unique function of n‐alk‐1‐yne terminus as a Quantum “Trigger Finger,” exhibiting two near‐isoenergetic conformers (Cs ${\mathrm{C}}_{s}$and C1 ${\mathrm{C}}_{1}$) locked by a symmetric high barrier. This contrasts with the lower asymmetric barrier of the conventional asymmetric “Stiff Joint” alkyl chain.
Ioan Bâldea
wiley   +1 more source

On-Surface Synthesis of Azapolyarenes and Their Bromine-Assisted Chiral Self-Assembly. [PDF]

ACS Appl Mater Interfaces
Zhang Y, Lu J, Gao W, Zhang Y, Gao L, Ernst KH, Cai J.   +6 more
europepmc   +1 more source

Unraveling the effect of topological structures of B/N‐doped conjugated macrocycles on spectral properties: A computational study

Smart Molecules, EarlyView.
Herein, we constructed a series of fully B‐doped, fully N‐doped and hybrid B/N‐doped conjugated macrocycles considering three key topological factors. At a fixed ring size, the spectra initially redshift then blueshift with varying B/N ratio, while ring size exhibits negligible impact on spectra.
Wen‐Yu Guo, Yi Zeng, Yu‐Meng Xu, Pang‐Kuan Chen, Xiao‐Yan Zheng   +4 more
wiley   +1 more source

The importance of counterion association in the calculated binding constants of Ca²⁺-aminopolycarboxylate complexes. [PDF]

RSC Adv
Heshmat M, Kostetskyy P, Li G, van Es DS.   +3 more
europepmc   +1 more source

A lysosome‐targeted ultra‐sensitive viscosity probe for monitoring viscosity alterations during chemotherapy

Smart Molecules, EarlyView.
A novel chemosensing platform based on a molecular rotor architecture is established for specific, dynamic detection of lysosomal viscosity. The platform allows real‐time tracking of lysosomal viscosity fluctuations induced by various chemotherapeutic agents, highlighting its significant potential as a powerful tool for early cancer diagnostics and ...
Haoyang Song, Hui Bian, Lei Liu, Gahyeon Park, Bingqing Sun, Qiongzheng Hu, Juyoung Yoon   +6 more
wiley   +1 more source

Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization. [PDF]

J Chem Inf Model
Blanco-Gonzalez A, Betancourt W, Snyder RM, Zhang S, Giese TJ, Piskulich ZA, Götz AW, Merz KM, York DM, Aktulga HM, Manathunga M.   +10 more
europepmc   +1 more source

Novel {Pb6} wheels based zeolite‐type metal‐organic framework for wide temperature range and high sensitivity of luminescent thermometer

Smart Molecules, EarlyView.
The expansion of {Pb6} wheels in zeolite‐type MOFs led to emission thermal quenching of 93%, relative sensitivity of 1.03% K−1 (intensity‐based) and 0.97% K−1 (lifetime‐based) in a wide temperature range of 298–423 K. Abstract The development of luminescent thermometers synchronously exhibiting high sensitivity and stability in a wide temperature range
Yi‐Na Li, Na Sun, Yun‐Long Wu, Xiao‐Gang Yang, Yang‐Tian Yan, Guo‐Ping Yang, Yao‐Yu Wang   +6 more
wiley   +1 more source

Solvatofluorochromic Behavior of Naphthalene-Based π-Conjugated Compounds Governed by Intramolecular Charge Transfer. [PDF]

Chem Asian J
Manabe Y, Yamazaki S, Takashima H.
europepmc   +1 more source

Organotitanyl “TiCp” Fragment Capping the Bowl‐Shaped Unit in the Ternary Anion [(Cp)Ti(Sn3Bi3)]2−

Zeitschrift für anorganische und allgemeine Chemie, EarlyView.
A novel ternary anion, [(η5‐Cp)Ti(Sn3Bi3‐κ3)]2− composed of a cyclopentadienyl titanium fragment coordinated by a Sn3Bi3 bowl‐shaped cluster unit, is reproted. Unlike homoatomic nine‐atom clusters of heavier tetrel elements, which retain their identity upon dissolution, intermetalloid clusters are not formed directly from ternary alkali‐metal alloys in
C. E. Fajman, M. Botta, V. Hlukhyy, T. F. Fässler   +3 more
wiley   +1 more source

Archaeal and eukaryotic MCM rings sequentially melt DNA for replication initiation. [PDF]

Nat Commun
Rasouli S, Myasnikov A, Enemark EJ.
europepmc   +1 more source