bluuebunny/crossref_metadata_2025_split huggingface dataset:
Derecho a la Actividad Física, el Deporte y la Recreación en el proceso constituyente.
Authors: Peña Baeza Alonso , Pizarro-Quevedo Tito , Vasquez-Macaya Daniela 
Published: December 2023

Objetivo: promover una constitución que señale el Derecho a la Actividad Física, el Deporte y la Recreación (AFDR) en el actual proceso constituyente.
Metodología: Enfoque cualitativo, desde un marco lógico de derecho, mediante análisis interpretativo.
Resultados y Discusión: El Derecho a AFDR involucra de manera personal y social, individual y en comunidad la incorporación y promoción de hábitos de vida activa para el bienestar integral del ecosistema humano.
การพัฒนาผลิตภัณฑ์ขนมไทย : ขนมทองเอกเสริมแป้งลูกเดือย
Authors: สิงห์แก้ว เกรียงศักดิ์ , ใจร้าย วาสนา , มอญพูด ชนิกานต์ 
Published: December 2023

งานวิจัยนี้มีวัตถุประสงค์เพื่อศึกษาปริมาณแป้งลูกเดือยที่เหมาะในการผลิตขนมทองเอก โดยการศึกษาสูตรพื้นฐาน 3 สูตร ได้แก่สูตรที่ 1 ประกอบด้วย แป้งสาลีอเนกประสงค์ 100 กรัม แป้งเท้ายายม่อม 10 กรัม หัวกะทิ 230 กรัม น้ำตาลทรายขาว 160 กรัม ไข่ไก่เฉพาะไข่แดง 150 กรัม สีเหลืองผสมอาหาร 5 กรัม สูตรที่ 2 ประกอบด้วย แป้งสาลีอเนกประสงค์ 100 กรัม หัวกะทิ 250 กรัม น้ำตาลทรายขาว 160 กรัม ไข่ไก่เฉพาะไข่แดง 150 กรัม สูตรที่ 3 ประกอบด้วย แป้งสาลีอเนกประสงค์ 90 กรัม หัวกะทิ 220 กรัม น้ำตาลทรายขาว 170 กรัม ไข่ไก่เฉพาะไข่แดง 200 กรัม จากนั้นนำมาประเมินคุณภาพทางประสาทสัมผัส (9-point hedonics scale test) ใช้ผู้ทดสอบจำนวน 50 คน ซึ่งสูตรที่ 2 มีคะแนนเฉลี่ยการยอมรับความชอบจากผู้ทดสอบมากที่สุด คือ 7.45 หมายถึงชอบระดับมาก จึงนำมาพัฒนาเป็นผลิตภัณฑ์ขนมทองเอกเสริมแป้งลูกเดือย โดยมีปริมาณแป้งลูกเดือย 5 ระดับ คือ ร้อยละ 20 (20 กรัม), ร้อยละ 40 (40 กรัม), ร้อยละ 60 (60 กรัม), ร้อยละ 80 (80 กรัม) และ ร้อยละ 100 (100 กรัม) ตามลำดับ เมื่อนำมาประเมินคุณภาพทางประสาทสัมผัสมีความแตกต่างกันอย่างมีนัยสำคัญทางสถิติที่ระดับความเชื่อมั่นร้อยละ 95 (p < 0.05) ผู้ทดสอบให้การยอมรับปริมาณแป้งลูกเดือยร้อยละ 80 มากที่สุด มีคะแนนเฉลี่ยความชอบอยู่ในช่วงชอบมาก จากนั้นนำมาวิเคราะห์คุณภาพทางกายภาพ พบว่า ค่าสี L* (ค่าความสว่าง), a* (ค่าสีแดง) และ b* (ค่าสีเหลือง) เท่ากับ 46.39, 13.81 และ 37.29 ตามลำดับ
ความคาดหวังของสถานประกอบการที่มีต่อคุณลักษณะของนักศึกษาฝึกประสบการณ์วิชาชีพ คณะเทคโนโลยีคหกรรมศาสตร์ มหาวิทยาลัยเทคโนโลยีราชมงคลธัญบุรี
Authors: Chareonsriwiriyakul Siriporn 
Published: December 2023

การศึกษาครั้งนี้มีวัตถุประสงค์ 1) เพื่อศึกษาความคาดหวังของสถานประกอบการที่มีต่อคุณลักษณะของนักศึกษาฝึกประสบการณ์วิชาชีพ คณะเทคโนโลยีคหกรรมศาสตร์ มหาวิทยาลัยเทคโนโลยีราชมงคลธัญบุรี และ 2) เพื่อเปรียบเทียบข้อมูลส่วนบุคคลของสถานประกอบการที่ส่งผลต่อความคาดหวังในคุณลักษณะของนักศึกษาฝึกประสบการณ์วิชาชีพ คณะเทคโนโลยีคหกรรมศาสตร์ มหาวิทยาลัยเทคโนโลยีราชมงคลธัญบุรี ประชากรที่ใช้ในการวิจัย คือ สถานประกอบการที่เคยรับนักศึกษาเข้าฝึกประสบการณ์วิชาชีพในปีการศึกษา 2563 – 2564 จำนวน 117 แห่ง ๆ ละ 1 คน รวมทั้งหมด 117 คน การวิเคราะห์ข้อมูลใช้สถิติเชิงพรรณนา ได้แก่ ร้อยละ ค่าเฉลี่ย ส่วนเบี่ยงเบนมาตรฐาน สถิติเชิงอนุมาน ได้แก่ Independent samples t-test, One-way ANOVA และวิเคราะห์ความแตกต่างรายคู่โดยใช้ LSD
ผลการศึกษาพบว่า 1) สถานประกอบการมีความคาดหวังต่อคุณลักษณะของนักศึกษาฝึกประสบการณ์วิชาชีพ คณะเทคโนโลยีคหกรรมศาสตร์ มหาวิทยาลัยเทคโนโลยีราชมงคลธัญบุรี โดยภาพรวมอยู่ในระดับมาก (μ= 4.06) เมื่อพิจารณารายด้าน มีความคาดหวังอยู่ในระดับมากทุกด้าน ได้แก่ ด้านทักษะการวิเคราะห์เชิงตัวเลข การสื่อสารและการใช้เทคโนโลยีสารสนเทศ (μ= 4.23) ด้านความรู้ (μ= 4.11) ด้านคุณธรรมจริยธรรม (μ= 4.09) ด้านทักษะความสัมพันธ์ระหว่างบุคคลและความรับผิดชอบ (μ= 3.99) ด้านทักษะทางปัญญา (μ= 3.88) ตามลำดับ 2) ผลการเปรียบเทียบความคาดหวัง พบว่า เพศ มีความคาดหวังต่อคุณลักษณะของนักศึกษาฝึกประสบการณ์วิชาชีพไม่แตกต่างกัน ตำแหน่งงานและประเภทสถานประกอบการต่างกัน มีความคาดหวังต่อคุณลักษณะของนักศึกษาฝึกประสบการณ์วิชาชีพด้านความรู้และด้านทักษะทางปัญญาแตกต่างกัน ส่วนขนาดของสถานประกอบการต่างกัน มีความคาดหวังต่อคุณลักษณะของนักศึกษาฝึกประสบการณ์วิชาชีพด้านทักษะความสัมพันธ์ระหว่างบุคคลและความรับผิดชอบแตกต่างกัน และประเภทสถานประกอบการต่างกัน มีความคาดหวังต่อคุณลักษณะของนักศึกษาฝึกประสบการณ์วิชาชีพด้านทักษะการวิเคราะห์เชิงตัวเลข การสื่อสารและการใช้เทคโนโลยีสารสนเทศแตกต่างกัน ที่ระดับนัยสำคัญทางสถิติ 0.05
[Towards a practical geology in Italy: sciences applied to territory in Italy between the ‘20s and the ‘30s of the 20th century]
Authors: Argentieri Alessio , De Caterini Giovanni , Rotella Giovanni , Roggero Federico 
Published: December 2023

Il prossimo 30 dicembre 2023 ricorrerà il centenario del Vincolo idrogeologico e forestale (R.D.L. 3267/1923). La norma è conosciuta anche come legge Serpieri, in memoria del suo illuminato ideatore e co-redattore assieme al giurista Romualdo Trifone (Roggero, 2022)...

[Article in Italian]
Bimetallic UiO‐66(Zr/Ti)‐Ionic Liquid Grafted Fillers with Intensified Lewis Acidity for High‐Performance Composite Solid Electrolytes
Authors: Ho Jeong‐Won , Choi Jongin , Kim Dong Geon , Ha Chaeyeon , Koo Jin Kyo , Nam Myeong Gyun , Kim Jihoon , Lee Jun Hyuk , Kim Minjun , Moon Myoung‐Woon , Park Moon Jeong , Kim Young‐Jun , Myung Chang Woo , Lee Minjae , Yoo Pil J. 
Published: December 2023

AbstractEnhancing the incorporation of highly accessible Lewis acid sites on fillers is crucial for achieving exceptional electrochemical performances in composite solid electrolytes (CSEs). Typically, they can provide a vital role in improving CSEs performance by interacting with lithium salt anions and the polymer matrix through Lewis acid–base interactions. To address this technological need, in this work, a novel filler of bimetallic UiO‐66(Zr/Ti)‐ionic liquid grafted composite (BUIL) is developed to enhance its inherent electrochemical properties. The bimetallic structure, which introduces structural defects, along with the grafted ionic liquid, abundantly creates accessible Lewis acid sites. This modification of the intrinsic Lewis acidity results in a remarkable enhancement of CSEs performances. The incorporation of BUIL in CSEs leads to a significant increase in ionic conductivity (0.458 mS cm−1) and lithium‐ion transference number (0.668) at 30 °C. Furthermore, LiFePO4/CSEs/Li cells demonstrate a high specific capacity of 148.5 mAh g−1 at a current density of 1 C, which is stably maintained over 880 cycles. Overall, the innovative synthetic approach in producing multifunctional fillers for CSEs shows strong potential for enhancing the performance of advanced lithium metal batteries.
Temperature‐Dependent Interplay between Structural and Charge Carrier Dynamics in CsMAFA‐Based Perovskites
Authors: Zhao Jiashang , Liu Xiaohui , Wu Zijin , Ibrahim Bahiya , Thieme Jos , Brocks Geert , Tao Shuxia , Bannenberg Lars J. , Savenije Tom J. 
Published: December 2023

AbstractState‐of‐the‐art triple cation, mixed halide perovskites are extensively studied in perovskite solar cells, showing very promising performance and stability. However, an in‐depth fundamental understanding of how the phase behavior in Cs0.05FA0.85MA0.10Pb(I0.97Br0.03)3 (CsMAFA) affects the optoelectronic properties is still lacking. The refined unit cell parameters a and c in combination with the thermal expansion coefficients derived from X‐ray diffraction patterns reveal that CsMAFA undergoes an α–β phase transition at ≈280 K and another transition to the γ‐phase at ≈180 K. From the analyses of the electrodeless microwave photoconductivity measurements it is shown that shallow traps only in the γ‐phase negatively affect the charge carrier dynamics. Most importantly, CsMAFA exhibits the lowest amount of microstrain in the β‐phase at around 240 K, corresponding to the lowest amount of trap density, which translates into the longest charge carrier diffusion length for electrons and holes. Below 200 K a considerable increase in deep trap states is found most likely related to the temperature‐induced compressive microstrain leading to a huge imbalance in charge carrier diffusion lengths between electrons and holes. This work provides valuable insight into how temperature‐dependent changes in structure affect the charge carrier dynamics in FA‐rich perovskites.
Stabilization of Oxygen‐Dependent Fe3+/4+ Redox in Li‐Excess DRX Cathode Exhibiting Anionic Redox via Transition Metal Combination
Authors: Lee Hayeon , Kim Minji , Park Hyunyoung , Yoo Yiseul , Na Sangmun , Lim Hee‐Dae , Kim Jongsoon , Yoon Won‐Sub 
Published: December 2023

AbstractDeveloping sustainable Li‐ion batteries requires high‐energy cathodes based on low‐cost, earth‐abundant elements, moving away from low‐reserve nickel and cobalt. Fe‐based oxide cathodes with Fe3+/4+ and O2−/n− redox couples offer potential but face low initial Coulombic efficiency and significant voltage hysteresis. This study investigates Li‐excess Fe‐based disordered rock‐salt (DRX) oxyfluorides (Li2Fe0.5M0.5O2F; M = Fe, Ti, Mn) using combined electrochemical/spectroscopic characterization and first‐principles calculation. Oxygen‐dependent Fe3+/4+ redox, related to Fe 3d–O 2p hybrid state, can be stabilized when combined with Mn3+/4+ redox in DRX structure owing to the unusual decrease in its redox potential. The moderately high charge transfer gap stabilizes Fe4+ against ligand‐to‐metal charge transfer (LMCT) on charge, reduces the amount of oxygen oxidation, thereby increasing Coulombic efficiency. On discharge, it allows metal‐to‐ligand charge transfer (MLCT) without substantial overpotential, reducing hysteresis in oxygen redox. The resulting composition exhibits high capacity (309 mAh g−1) and energy density (998 Wh kg−1), providing insights for next‐generation Ni‐ and Co‐free cathode materials.
Double Bionic Deformable DNA Hydrogel Microneedles Loaded with Extracellular Vesicles to Guide Tissue Regeneration of Diabetes Ulcer Wound
Authors: Zhou Liping , Zeng Zehua , Liu Jingchong , Zhang Fengshi , Bian Xiaochun , Luo Zhiwei , Du Hongwu , Zhang Peixun , Wen Yongqiang 
Published: December 2023

AbstractDue to the high blood glucose and low oxygen environment in diabetes wounds, complex pathological problems arise, such as failure to upregulate healing factors, biological barriers generation, microvascular lesions, and skin neuropathy. Inspired by nature and traditional Chinese paper‐cutting technology, polypeptide deoxyribonucleic acid (DNA) hydrogel microneedles (MNs) (P‐DNA gel MNs) are prepared. The obtained P‐DNA gel MNs possess optimized structure and large deformability, providing excellent clamping, stability, skin penetration, large deformation, tissue adhesion, and antibacterial properties. By incorporating extracellular vesicles (EVs) extracted under hypoxia (H‐EVs‐hypoxia), P‐DNA gel MNs can regulate tissue microenvironment, scavenge free radicals, and reduce inflammation. Notably, P‐DNA gel MNs integration system activates immune regulation and beneficial pathways, promoting neurogenesis and angiogenesis, reducing pathological pain, and achieving high‐quality healing. Overall, P‐DNA gel MNs system presents a fundamental mechanism for clinical transformation in treating diabetes wounds.
All‐Direct Laser Patterning Zinc‐Based Microbatteries
Authors: Li Xiangyang , Jin Xuting , Wang Ying , Zhang Xinqun , Li Dan , Wang Jiaqi , Yuan Man , Liu Jiajia , Zhao Yang 
Published: December 2023

AbstractMiniature batteries with programmable shape and scalable functions can provide new opportunities in the design of highly compatible integrated circuits and flexible microelectronics. However, achieving these energy supply devices requires the precise formation of highly active electrode materials in a high‐resolution patterned area using appropriate construction protocols. Here, shape‐customizable zinc‐based microbatteries (MBs) using an all‐direct laser patterning (DLP) technique is demonstrated. Unlike conventional processing approaches, the DLP with high spatial‐resolution can not only enable template‐free and efficient arbitrary customizable fabrication of geometry patterns, such as circular, papercut, tropical fish, house shapes, among others, but also spontaneously create oxygen vacancies within micro‐electrode materials that are beneficial to increasing electrochemical active sites. The resultant Zn//MnO2 MBs deliver a high areal capacity of 0.57 mAh cm−2 and an energy density of 0.75 mWh cm−2, surpassing most available aqueous Zn‐based MBs and Li/Na‐based MBs. This strategy can also be extended to other battery systems, such as Zn//Co and Zn//Ag MBs. More importantly, these micro‐batteries are easily integrated into on‐chip electronic systems as built‐in power supply to be highly compatible with multiple sensing functionalities, which showcase accurately monitoring wrist bending, pulse beating, temperature, and moisture signals in humans.
K2S2O8‐Mediated Access to Alkylsulfonated Spiro[4,5] Trienones from N‐Arylpropiolamides with the Insertion of Sulfur Dioxide
Authors: Liu Xin‐Qian , Huang Peng‐Fei , Xiong Bi‐Quan , Tang Ke‐Wen , Liu Yu 
Published: December 2023

AbstractA four‐component reaction of N‐arylpropiolamides, Hantzsch esters, Na2S2O5 and water via a radical cascade cyclization process with the insertion of sulfur dioxide mediated by K2S2O8 is reported. A series of alkylsulfonated spiro[4,5] trienones are prepared up to 86% yield with a good functional group tolerance and substrate applicability. Preliminary mechanism experiments indicate that carbonyl oxygen of spiro[4,5] trienones originated from water.
Atroposelective Synthesis of 2‐(Quinolin‐8‐yl)benzyl Alcohols by Biocatalytic Dynamic Kinetic Resolutions
Authors: Coto‐Cid Juan M. , de Gonzalo Gonzalo , Carmona José A. , Iglesias‐Sigüenza Javier , Rodríguez‐Salamanca Patricia , Fernández Rosario , Hornillos Valentín , Lassaletta José M. 
Published: December 2023

AbstractA highly enantioselective biocatalytic dynamic kinetic resolution (DKR) of 2‐(quinoline‐8‐yl) 3‐methylbenzaldehydes and 1‐naphthaldehydes is described. The reaction proceeds by atroposelective carbonyl reduction catalyzed by commercial ketoreductases (KREDs), generally reaching high conversions and excellent enantiomeric excesses. Both atropoisomers of the final alcohols can be obtained by a proper selection of the biocatalyst. The DKR strategy relies in the racemization of the stereogenic axis that takes place thanks to a transient Lewis acid‐base interaction (LABI) between the nitrogen in the quinoline and the carbonyl group.
TREX‐1 related Aicardi‐Goutières syndrome improved by Janus kinase inhibitor
Authors: Ryckmans Claire , Donge Mylène , Marchèse Antonia , Mastouri Meriem , Thomee Caroline , Stouffs Katrien , Lieser Sandra‐Lucile , Scalais Emmanuel 
Published: December 2023

AbstractAicardi‐Goutières syndrome (AGS) is a genetic interferonopathy classically characterized by early onset of severe neurologic injury with basal ganglia calcifications, white matter abnormalities, and progressive cerebral atrophy, along with lymphocytosis and raised interferon alpha (INFα) in the cerebrospinal fluid (CSF). Here, we report a 31/2 year‐old patient born with prenatal onset AGS, first manifesting as intra‐uterine growth retardation. Cranial ultrasonography and cerebral MRI revealed ventriculomegaly and periventricular and basal ganglia calcifications, along with cerebral atrophy. Perinatal infections and known metabolic disorders were excluded. Both CSF lymphocytosis and raised INFα were present. Molecular analysis disclosed two already described compound heterozygous pathogenic variants in TREX1 (c. 309dup, p.(Thr104Hisfs*53) and c. 506G > A, p.(Arg169His)). The evolution was marked by severe global developmental delay with progressive microcephaly. Promptly, the patient developed irritability, quadri‐paretic dyskinetic movements, and subsequently tonic seizures. Sensorineural hearing loss was detected as well as glaucoma. Initially, he was symptomatically treated with trihexyphenidyl followed by levetiracetam and topiramate. At age 22 months, baricitinib (0.4 mg/kg/day) was introduced, leading to normal serum INFα levels. Clinically, dyskinetic movements significantly decreased as well as irritability and sleep disturbance. We confirmed that baricitinib was a useful treatment with no major side effect.
Pyrroloindoles as Therapeutically Invaluable Agents: A Review on their Diverse Synthetic Methodologies
Authors: Ramesh Sanjay S. , Gattu Rohith , Ramesh Suhas 
Published: December 2023

AbstractIn the realm of medicinal chemistry, heterocyclic compounds play a vital role due to their diverse pharmacological properties, especially, pyrroloindoles standing out as crucial motifs in drug development. Pyrroloindoles, which are formed by combining indole and pyrrole rings, exhibit unique characteristics and serve as integral components in numerous drugs and natural compounds. The synthesis of pyrroloindoles is challenging due to their complex ring structures and diverse substitution patterns. This comprehensive review compiles various synthetic strategies for obtaining pyrroloindole derivatives via metal‐catalyzed reactions; cyclopropanation/ ring opening/ iminium cyclization (CRI reaction); organocatalytic cascade addition‐cyclization; 1,3‐dipolar cycloaddition; Brønsted acid‐catalyzed [3+2] cyclodimerization; ring closure mechanisms; thermally‐induced ring‐opening and cyclization reactions; condensation reactions; and visible‐light photocatalytic asymmetric reactions providing a valuable resource for synthetic organic chemists and researchers interested in the synthesis of pyrroloindoles and their derivatives. These compounds play a pivotal role in drug discovery thus, making this review an indispensable reference.
Cavity‐Assisted Atomic External Momenta State Teleportation
Authors: Ali Liaqat , Ahmad Murad , Rameez‐ul‐Islam  , Imran Muhammad , Ikram Manzoor , Ahmad Iftikhar 
Published: December 2023

AbstractThe quantized momentum eigenstates of neutral atoms offer high resistance to decoherence and thus suggests a viable alternative for quantum informatics tasks including teleportation. In this work, a scheme is suggested to teleport an unknown superposition of two distinct external momentum states of a neutral atom onto the similar momentum states of a distant atom at the receiving end through the off‐resonant atomic Bragg diffraction (ABD). In order to teleport this unknown state from the sender, that is, Alice, to the receiver, that is, Bob, a pre‐existing entangled link formed through a high‐Q cavity at Alice's end and momentum states of a neutral atom at the Bob's end are utilized. Further, while citing the realistic experimental parameters, it is demonstrated that the proposal can easily be implemented experimentally under the prevailing cavity‐QED atom‐field research scenario. The proposal is also generalized to cover the teleportation of the multipartite entangled momenta states and the case of multipartite GHZ entangled states is elucidated in details. However, the procedure is generic and can be extended to cover the teleportation schematics for any arbitrary atomic momenta states.
An Intelligent DNA Nanoreactor for Easy‐to‐Read In Vivo Tumor Imaging and Precise Therapy
Authors: Mao Dongsheng , Dong Ziliang , Liu Xueliang , Li Wenxing , Li Hongyi , Gu Chao , Chen Ganghui , Zhu Xiaoli , Yang Yu 
Published: December 2023

AbstractNanomaterial‐based in vivo tumor imaging and therapy have attracted extensive attention; however, they suffer from the unintelligent “always ON” or single‐parameter responsive signal output, substantial off‐target effects, and high cost. Therefore, achieving in vivo easy‐to‐read tumor imaging and precise therapy in a multi‐parameter responsive and intelligent manner remains challenging. Herein, an intelligent DNA nanoreactor (iDNR) was constructed following the “AND” Boolean logic algorithm to address these issues. iDNR‐mediated in situ deposition of photothermal substance polydopamine (PDA) can only be satisfied in tumor tissues with abundant membrane protein biomarkers “AND” hydrogen peroxide (H2O2). Therefore, intelligent temperature‐based in vivo easy‐to‐read tumor imaging is realized without expensive instrumentation, and its diagnostic performance matches with that of flow cytometry, and photoacoustic imaging. Moreover, precise photothermal therapy (PTT) of tumors could be achieved via intelligent heating of tumor tissues. The precise PTT of primary tumors in combination with immune checkpoint blockade (ICB) therapy suppresses the growth of distant tumors and inhibits tumor recurrence. Therefore, highly programmable iDNR is a powerful tool for intelligent biomedical applications.
Bridging Homogeneous and Heterogeneous Catalysis: Phosphine‐Functionalized Metal‐Organic Frameworks
Authors: Chen Wenmiao , Cai Peiyu , Zhou Hong‐Cai , Madrahimov Sherzod T. 
Published: December 2023

AbstractPhosphine‐functionalized metal‐organic frameworks (P‐MOFs) as an emerging class of coordination polymers, have provided novel opportunities for the development of heterogeneous catalysts. Yet, compared with the ubiquitous phosphine systems in homogeneous catalysis, heterogenization of phosphines in MOFs is still at its early stage. In this Minireview, we summarize the synthetic strategies, characterization and catalytic reactions based on the P‐MOFs reported in literature. In particular, various catalytic reactions are discussed in detail in terms of phosphine ligand structure‐function relationship, including the potential obstacles for future development. Finally, we discuss the possible solutions, including new types of reactions and techniques as the perspectives for the development of P‐MOF catalysts, highlighting the opportunities and challenges.
Craig‐Hückel Hybrid Aromatic Metalla‐dehydro[11]annulenes Constructed by a Formal [10+1] Cycloaddition Reaction
Authors: Ruan Kaidong , Lu Zhengyu , Rao Ren , Liu Jiao‐Jiao , Chen Dafa , Xia Haiping 
Published: December 2023

AbstractAromatic metalla‐annulenes are important aromatic compounds, research into which has been mainly concentrated on metal‐benzenes and their lower homologues. Reports on their superior homologs are rare, and this has greatly limited the systematic study of their properties. In this work, a series of osma‐dehydro[11]annulenes with good air and thermal stability were prepared in high yields through a simple [10+1] strategy, by incorporating a metal fragment into conjugated ten‐carbon chains in a one‐pot reaction. They are the first monometallic aromatic metalla‐[n]annulenes with the ring size larger than 6, and their Craig‐Hückel hybrid aromaticity is supported by various physical and computational parameters. Besides, these complexes show versatile reactivities, not only giving further evidence for their aromaticity, but also demonstrating their physical and chemical properties can easily be regulated. This work enriches the metalla‐aromatic chemistry, and provides a new avenue for the synthesis of large metalla‐annulenes with different ring sizes.
Ground‐State Orbital Descriptors for Accelerated Development of Organic Room‐Temperature Phosphorescent Materials
Authors: Mao Yufeng , Yao Xiaokang , Yu Ze , An Zhongfu , Ma Huili 
Published: December 2023

AbstractOrganic materials with room‐temperature phosphorescence (RTP) are in high demand for optoelectronics and bioelectronics. Developing RTP materials highly relies on expert experience and costly excited‐state calculations. It is a challenge to find a tool for effectively screening RTP materials. Herein we first establish ground‐state orbital descriptors (πFMOs) derived from the π‐electron component of the frontier molecular orbitals to characterize the RTP lifetime (τp), achieving a balance in screening efficiency and accuracy. Using the πFMOs, a data‐driven machine learning model gains a high accuracy in classifying long τp, filtering out 836 candidates with long‐lived RTP from a virtual library of 19,295 molecules. With the aid of the excited‐state calculations, 287 compounds are predicted with high RTP efficiency. Impressively, experiments further confirm the reliability of this workflow, opening a novel avenue for designing high‐performance RTP materials for potential applications.