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The functionalization of polycyclic aromatic hydrocarbons (PAHs) with N→B Lewis pairs, so-called borylative fusion, has recently emerged as a simple and powerful means to modulate their electronic and photophysical properties thanks to the extension of the π system. Herein, we considered a new class of PAHs appended with phosphine→borane Lewis pairs and investigated pyrene as well as anthracene derivatives. In these compounds, strong P→B interactions are enforced geometrically, but the π-system is not extended. Nevertheless, such P→B functionalization was found to significantly impact the optical and electrochemical properties. The P,B-functionalized PAHs display noticeably reduced HOMO-LUMO gaps and enhanced fluorescence. Both the number and position of P→B units turned out to play a significant role.
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http://dx.doi.org/10.1002/anie.202501178 | DOI Listing |
J Chem Phys
September 2025
Quantum Chemistry Division, Yokohama City University, Seto 22-2, Kanazawa-Ku, Yokohama 236-0027, Kanagawa, Japan.
Perovskite-silicon tandem solar cells have attracted considerable attention owing to their high power conversion efficiency (PCE), which exceeds the limits of single-junction devices. This study focused on lead-free tin-based perovskites with iodine-bromine mixed anions. Bromide perovskites have a wide bandgap; therefore, they are promising light absorbers for perovskite-silicon tandem solar cells.
View Article and Find Full Text PDFJAACAP Open
September 2025
University of Miami, Coral Gables, Florida.
Objective: Researchers have differentiated forms (overt, relational) and functions (proactive, reactive) of aggressive behavior; however, the assessment options for measuring these constructs in youth remain limited. This study examined the parent-report Peer Conflict Scale (PCS) for measuring forms and functions of youth aggressive behavior in English and Spanish, including short- and long-form versions.
Method: Participants were caregivers of 653 youths (ages 6-17; 57% male; 48% Hispanic) throughout North America.
Inorg Chem
September 2025
School of Science and Engineering, The Chinese University of Hong Kong, Shenzhen, Guangdong 518172, China.
In recent years, while main-group elements from the - and -block have emerged in the field of N activation, silylenes─despite their remarkable successes in the activation of diverse small molecules─remain unreported for N activation. Herein, we design "silylene-borole" frustrated Lewis pairs (FLPs) by combining silylene moieties with boron components and conduct comprehensive density functional theory (DFT) calculations to thoroughly investigate their potential for N activation. Screening silylene moieties via machine learning suggests that a smaller Δ value will benefit N activation thermodynamically.
View Article and Find Full Text PDFJ Am Acad Orthop Surg Glob Res Rev
September 2025
From the University of Texas MD Anderson Cancer Center, Department of Orthopaedic Oncology, Houston, USA (Dr. Kemp, Dr. Nalty, Dr. McChesney, Dr. Geng, Dr. Patel, Dr. Lewis, and Dr. Bird).
Introduction: The Musculoskeletal Tumor Society (MSTS) score is the most commonly used functional outcome tool in Orthopaedic Oncology. However, there are no published recommendations on how to collect, analyze, and report these data. To address this knowledge gap, we performed (1) a systematic review to analyze the methodology of reporting MSTS scores and (2) an analysis of two different reporting methods (pooled last follow-up versus longitudinal time based).
View Article and Find Full Text PDFAngew Chem Int Ed Engl
August 2025
Christopher Ingold Laboratory, Department of Chemistry, University College London, London, WC1H 0AJ, UK.
Aqueous zinc-ion batteries (ZIBs) offer a safe, cost-effective alternative for large-scale energy storage but are hindered by zinc dendrite growth, hydrogen evolution reactions (HER), and unstable electrode-electrolyte interfaces. These challenges largely stem from strong dipole interactions between symmetric water molecules and Zn, which destabilize the electric double layer (EDL) and trigger parasitic reactions. Drawing inspiration from biological systems that use asymmetric molecular interactions to regulate aqueous environments, we introduce isobutyramide (IAM) as a multifunctional electrolyte additive.
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