bluuebunny/crossref_metadata_2025_split huggingface dataset:
Solid–Liquid Crystal Biphasic Ferroelectrics with Tunable Biferroelectricity
Authors: Liu Jun‐Chao , Ai Yong , Liu Qin , Zeng Yi‐Piao , Chen Xiao‐Gang , Lv Hui‐Peng , Xiong Ren‐Gen , Liao Wei‐Qiang 
Published: May 2023

AbstractFerroelectricity has been separately found in numerous solid and liquid crystal materials since its first discovery in 1920. However, a single material with biferroelectricity existing in both solid and liquid crystal phases is very rare, and the regulation of biferroelectricity has never been studied. Here, solid–liquid crystal biphasic ferroelectrics, cholestanyl 4‐X‐benzoate (4X‐CB, X = Cl, Br, and I), which exhibits biferroelectricity in both the solid and liquid crystal phases, is presented. It is noted that the ferroelectric liquid crystal phase of 4X‐CB is a cholesteric one, distinct from the ordinary chiral smectic ferroelectric liquid crystal phase. Moreover, 4X‐CB shows solid–solid and solid–liquid crystal phase transitions, of which the transition temperatures gradually increase from Cl to Br to I substitution. The spontaneous polarization (Ps) of 4X‐CB in both solid and liquid crystal phases can also be regulated by different halogen substitutions, where the 4Br‐CB has the optimal Ps because of the larger molecular dipole moment. To the authors’ knowledge, 4X‐CB is the first ferroelectric with tunable biferroelectricity, which offers a feasible case for the performance optimization of solid–liquid crystal biphasic ferroelectrics.
Understanding and Suppressing Non‐Radiative Recombination Losses in Non‐Fullerene Organic Solar Cells
Authors: Liu Quan , Vandewal Koen 
Published: May 2023

AbstractOrganic solar cells benefit from non‐fullerene acceptors (NFA) due to their high absorption coefficients, tunable frontier energy levels, and optical gaps, as well as their relatively high luminescence quantum efficiencies as compared to fullerenes. Those merits result in high yields of charge generation at a low or negligible energetic offset at the donor/NFA heterojunction, with efficiencies over 19% achieved for single‐junction devices. Pushing this value significantly over 20% requires an increase in open‐circuit voltage, which is currently still well below the thermodynamic limit. This can only be achieved by reducing non‐radiative recombination, and hereby increasing the electroluminescence quantum efficiency of the photo‐active layer. Here, current understanding of the origin of non‐radiative decay, as well as an accurate quantification of the associated voltage losses are summarized. Promising strategies for suppressing these losses are highlighted, with focus on new material design, optimization of donor–acceptor combination, and blend morphology. This review aims at guiding researchers in their quest to find future solar harvesting donor–acceptor blends, which combine a high yield of exciton dissociation with a high yield of radiative free carrier recombination and low voltage losses, hereby closing the efficiency gap with inorganic and perovskite photovoltaics.
A Portable Self‐Powered Turbine Spirometer for Rehabilitation Monitoring on COVID‐19
Authors: Liu Minghao , Tan Puchuan , Xue Jiangtao , Liu Zhuo , Ouyang Han , Jiang Dongjie , Xi Yuan , Sun Wei , Wang Yiqian , Gai Yansong , Shi Bojing , Zou Yang , Li Zhou 
Published: May 2023

AbstractCoronavirus disease 2019 (COVID‐19) patients may experience persistent impairment of the lungs after recovery and discharge, which can cause a decline in pulmonary function. Therefore, regular pulmonary function tests are essential for COVID‐19 recovered patients, and portable, home‐based pulmonary function test devices are of great significance during the pandemic. Herein, a portable self‐powered turbine spirometer (PSTS) is designed for respiratory flow measurement and assessment of pulmonary function with high accuracy, humidity resistance, good durability, and low cost. The respiratory airflow can directly drive PSTS to produce a sinusoidal signal with a signal‐to‐noise of 40.64 dB. By utilizing the long short‐term memory (LSTM) model, the flow is successfully predicted, and the “lag‐before‐start” and “spin‐after‐stop” defects of the turbine spirometer are eliminated effectively. For pulmonary function tests, the flow‐volume loop curve can be obtained from PSTS, and pulmonary function parameters such as inspiratory capacity (IC), forced vital capacity (FVC) and forced expiratory volume in the first 1 s (FEV1) can be calculated. The accuracy of IC is over 95%, and others can reach over 97%. A portable smart pulmonary function assessment system is further developed and used to test the pulmonary function of COVID‐19 patients one month after symptom onset, demonstrating potential for assessing rehabilitation trends and long‐term follow‐up of COVID‐19 recovered patients.
Epitaxial Growth of III‐Vs on On‐Axis Si: Breaking the Symmetry for Antiphase Domains Control and Burying
Authors: Gilbert Audrey , Ramonda Michel , Cerutti Laurent , Cornet Charles , Patriarche Gilles , Tournié Éric , Rodriguez Jean‐baptiste 
Published: May 2023

AbstractThis work reports on the precise control of III‐V semiconductors’ antiphase domain formation and evolution during the epitaxial growth on an “on‐axis” Si (001) substrate with a very low but controlled miscut. Especially, it is shown how, starting from a Si surface having a regular array of terraces, the crystal polarity of thin GaAs epilayers grown by molecular‐beam epitaxy is defined through the Si surface topology, leading to a quasi‐periodic 1D pattern of antiphase domains in the GaAs layer. Furthermore, this work demonstrates how this configuration breaks the symmetry between the two different III‐V phases, without any step‐flow‐induced asymmetry. Following this strategy, an early burying of antiphase domains is demonstrated in GaAs epitaxially grown on a low‐miscut Si substrate. This study generalizes previous models describing antiphase domain formation and evolution and establishes the important growth parameters for the development of high crystal quality III‐V semiconductor devices monolithically integrated on low‐miscut silicon substrates.
Copper‐Enabled Photo‐Sulfonylation of Aryl Halides Using Alkylsulfinates
Authors: Mdluli Velabo , Lehnherr Dan , Lam Yu‐hong , Ji Yining , Newman Justin A. , Kim Jungchul 
Published: May 2023

AbstractA photochemical synthetic method to access sulfones from aryl halides and sodium alkylsulfinates in the presence of CuCl is reported. Regio‐ and chemoselectivity for the sulfonylation is observed for polyhalogenated arenes. Mechanistic studies indicate that a copper sulfinate reagent is formed in situ from CuCl and sodium sulfinate based on NMR experiments. Potential reaction intermediates, including excited state aryl halides are studied using density functional theory calculations and reveal energetically accessible non‐planar triplet geometries.
Force Sensing and Feedback System Based on Novel Triaxial Force Capacitive Sensor for Minimally Invasive Surgical Robot
Authors: Zhang Lu , Wu Zhi‐Yong , Li Han‐Yang , Wang Feng‐Xia , Zeng Zhang‐Bing , Hou Cheng , Gan Min‐Feng , Liu Hui‐Cong , Chen Tao , Sun Li‐Ning 
Published: May 2023

AbstractMinimally invasive surgery has attracted great attention due to small trauma, light pain, and quick recovery. Currently, most minimally invasive surgical robots lack the ability to force sense, resulting in high risks. Herein, a novel minimally invasive surgical force sensing and feedback system for minimally invasive surgical robot is proposed based on a flexible triaxial force capacitive sensor array. The capacitive force sensors utilize a microstructure electrode and orthogonal triangular pyramid microstructure to tackle the trade‐off between high sensitivity and wide‐detection range, showing 0–3 N detection range for normal force and high sensitivity of 69.19% N−1. Furthermore, the triaxial capacitive force sensors are integrated into the end‐effector of the minimally invasive surgical robot to form the minimally invasive surgical force sensing system. The system can show real‐time position of gripping or touching action, and the magnitude of triaxial force on the display surface. Importantly, the sensing force can further control the movement of the clamp, thus forming a novel force sensing and feedback system. The force sensing and feedback system of this minimally invasive surgical robot lays the foundation for its application in minimally invasive surgery andis expected to improve the safety and success of robotic‐assisted minimally invasive surgery.
NLRP3‐Dependent Crosstalk between Pyroptotic Macrophage and Senescent Cell Orchestrates Trauma‐Induced Heterotopic Ossification During Aberrant Wound Healing
Authors: Li Juehong , Wang Xin , Yao Zhixiao , Yuan Feng , Liu Hang , Sun Zhenyu , Yuan Zhengqiang , Luo Gang , Yao Xiangyun , Cui Haomin , Tu Bing , Sun Ziyang , Fan Cunyi 
Published: May 2023

AbstractHeterotopic ossification (HO) represents an unwanted ossific wound healing response to the soft tissue injury which caused catastrophic limb dysfunction. Recent studies established the involvement of inflammation and cellular senescence in the tissue healing process, though their role in HO still remained to be clarified. Here, a novel crosstalk where the pyroptotic macrophages aroused tendon‐derived stem cells (TDSCs) senescence is revealed to encourage osteogenic healing during trauma‐induced HO formation. Macrophage pyroptosis blockade reduces the senescent cell burden and HO formation in NLRP3 knockout mice. Pyroptosis‐driven IL‐1β and extracellular vesicles (EVs) secretion from macrophages are determined to motivate TDSCs senescence and resultant osteogenesis. Mechanistically, pyroptosis in macrophages enhances the exosomal release of high mobility group protein 1 (HMGB1), which directly bounds TLR9 in TDSCs to trigger morbid signaling. NF‐κB signaling is confirmed to be the converging downstream pathway of TDSCs in response to HMGB1‐containing EVs and IL‐1β. This study adds insights into aberrant regeneration‐based theory for HO formation and boosts therapeutic strategy development.
Comprehensive profiling of clinical JAK inhibitors in myeloproliferative neoplasms
Authors: Kong Tim , Yu LaYow , Laranjeira Angelo B. A. , Fisher Daniel A. C. , He Fan , Cox Maggie J. , Oh Stephen T. 
Published: May 2023

AbstractSmall molecule inhibitors targeting JAK2 provide symptomatic benefits for myeloproliferative neoplasm (MPN) patients and are among first‐line therapeutic agents. However, despite all having potent capacity to suppress JAK–STAT signaling, they demonstrate distinct clinical profiles suggesting contributory effects in targeting other ancillary pathways. Here, we performed comprehensive profiling on four JAK2 inhibitors either FDA‐approved (ruxolitinib, fedratinib, and pacritinib) or undergoing phase 3 studies (momelotinib) to better outline mechanistic and therapeutic efficacy. Across JAK2‐mutant in vitro models, all four inhibitors demonstrated similar anti‐proliferative phenotypes, whereas pacritinib yielded greatest potency on suppressing colony formation in primary samples, while momelotinib exhibited unique erythroid colony formation sparing. All inhibitors reduced leukemic engraftment, disease burden, and extended survival across patient‐derived xenograft (PDX) models, with strongest effects elicited by pacritinib. Through RNA‐sequencing and gene set enrichment analyses, differential suppressive degrees of JAK–STAT and inflammatory response signatures were revealed, which we validated with signaling and cytokine suspension mass cytometry across primary samples. Lastly, we assessed the capacity of JAK2 inhibitors to modulate iron regulation, uncovering potent suppression of hepcidin and SMAD signaling by pacritinib. These comparative findings provide insight into the differential and beneficial effects of ancillary targeting beyond JAK2 and may help guide the use of specific inhibitors in personalized therapy.
Preparation of Vinylic Lithium Reagents from Silyl Enolates of Alkyl Aryl Ketones Using Lithium Arenide
Authors: Zhang Ziwei , Takahashi Fumiya , Kurogi Takashi , Yorimitsu Hideki 
Published: May 2023

AbstractThe preparation of vinylic lithium reagents from vinylic halides is a common practice in organic synthesis. However, the preparation of vinylic halides is not always straightforward. In this study, we propose the use of silyl enolates of alkyl aryl ketones as a readily available and efficient alternative for generating vinylic lithium species. Treatment of triisopropylsilyl enolates of alkyl aryl ketones with lithium naphthalenide or lithium 4,4’‐di‐t‐butylbiphenylide affords the corresponding vinylic lithium species. This preparation represents a reductive transformation of electron‐rich silyl enolates, which had remained unexplored. This process provides an alternative to the Shapiro reaction and has great potential for various applications in organic synthesis.
Examining the role of race and quality of home health agencies in delayed initiation of home health services for individuals with Alzheimer's disease and related dementias (ADRD)
Authors: Karmarkar Amol M. , Roy Indrakshi , Rivera‐Hernandez Maricruz , Shaibi Stefany , Baldwin Julie A. , Lane Taylor , Kean Jacob , Kumar Amit 
Published: May 2023

AbstractINTRODUCTIONWe examined differences in the timeliness of the initiation of home health care by race and the quality of home health agencies (HHA) among patients with Alzheimer's disease and related dementias (ADRD).METHODSMedicare claims and home health assessment data were used for the study cohort: individuals aged ≥65 years with ADRD, and discharged from the hospital. Home health latency was defined as patients receiving home health care after 2 days following hospital discharge.RESULTSOf 251,887 patients with ADRD, 57% received home health within 2 days following hospital discharge. Black patients were significantly more likely to experience home health latency (odds ratio [OR] = 1.15, 95% confidence interval [CI] = 1.11–1.19) compared to White patients. Home health latency was significantly higher for Black patients in low‐rating HHA (OR = 1.29, 95% CI = 1.22–1.37) compared to White patients in high‐rating HHA.DISCUSSIONBlack patients are more likely to experience a delay in home health care initiation than White patients.
Identification of optimal reference genes in golden Syrian hamster with ethanol‐ and palmitoleic acid‐induced acute pancreatitis using quantitative real‐time polymerase chain reaction
Authors: Miao Jinxin , Kang Le , Lan Tianfeng , Wang Jianyao , Wu Siqing , Jia Yifan , Xue Xia , Guo Haoran , Wang Pengju , Li Yan 
Published: May 2023

AbstractBackgroundAcute pancreatitis (AP) is a severe disorder that leads to high morbidity and mortality. Appropriate reference genes are important for gene analysis in AP. This study sought to study the expression stability of several reference genes in the golden Syrian hamster, a model of AP.MethodsAP was induced in golden Syrian hamster by intraperitoneal injection of ethanol (1.35 g/kg) and palmitoleic acid (2 mg/kg). The expression of candidate genes, including Actb, Gapdh, Eef2, Ywhaz, Rps18, Hprt1, Tubb, Rpl13a, Nono, and B2m, in hamster pancreas at different time points (1, 3, 6, 9, and 24 h) posttreatment was analyzed using quantitative polymerase chain reaction. The expression stability of these genes was calculated using BestKeeper, Comprehensive Delta CT, NormFinder, and geNorm algorithms and RefFinder software.ResultsOur results show that the expression of these reference genes fluctuated during AP, of which Ywhaz and Gapdh were the most stable genes, whereas Tubb, Eef2, and Actb were the least stable genes. Furthermore, these genes were used to normalize the expression of TNF‐α messenger ribonucleic acid in inflamed pancreas.ConclusionsIn conclusion, Ywhaz and Gapdh were suitable reference genes for gene expression analysis in AP induced in Syrian hamster.
Highly Stereoselective Diels–Alder Reactions Catalyzed by Diboronate Complexes**
Authors: Li Yuan‐He , Zhang Su‐Lei , Lu Yong , Xiao Bo , Sun Tian‐Yu , Xu Qian‐Qian , Chen Jia‐Hua , Yang Zhen 
Published: May 2023

AbstractA highly enantioselective catalytic system for exo‐Diels–Alder reactions was developed based on the newly discovered bispyrrolidine diboronates (BPDB). Activated by various Lewis or Brønsted acids, BPDB can catalyze highly stereoselective asymmetric exo‐Diels–Alder reactions of monocarbonyl‐based dienophiles. When 1,2‐dicarbonyl‐based dienophiles are used, the catalyst can sterically distinguish between the two binding sites, which leads to highly regioselective asymmetric Diels–Alder reactions. BPDB can be prepared as crystalline solids on a large scale and are stable under ambient condition. Single‐crystal X‐ray analysis of the structure for acid‐activated BPDB indicated that its activation involves cleavage of a labile B←N bond.
Thiol‐Aldehyde Polycondensation for Bio‐based Adaptable and Degradable Phenolic Polymers
Authors: Jin Yu , Hu Chengcheng , Wang Jie , Ding Yongliang , Shi Junjie , Wang Zhongkai , Xu Shichao , Yuan Liang 
Published: May 2023

AbstractDesigning sustainable materials with tunable mechanical properties, intrinsic degradability, and recyclability from renewable biomass through a mild process has become vital in polymer science. Traditional phenolic resins are generally considered to be not degradable or recyclable. Here we report the design and synthesis of linear and network structured phenolic polymers using facile polycondensation between natural aldehyde‐bearing phenolic compounds and polymercaptans. Linear phenolic products are amorphous with Tg between −9 °C and 12 °C. Cross‐linked networks from vanillin and its di‐aldehyde derivative exhibited excellent mechanical strength between 6–64 MPa. The connecting dithioacetals are associatively adaptable strong bonds and susceptible to degradation in oxidative conditions to regenerate vanillin. These results highlight the potential of biobased sustainable phenolic polymers with recyclability and selective degradation, as a complement to the traditional phenol‐formaldehyde resins.
Redox‐Bipolare Polyimid Zweidimensionale Covalent Organic Framework Kathoden für langlebige Aluminum‐Akkumulatoren
Authors: Liu Yannan , Lu Yiyue , Hossain Khan Arafat , Wang Gang , Wang Yong , Morag Ahiud , Wang Zhiyong , Chen Guangbo , Huang Shengyun , Chandrasekhar Naisa , Sabaghi Davood , Li Dongqi , Zhang Panpan , Ma Dongling , Brunner Eike , Yu Minghao , Feng Xinliang 
Published: May 2023

AbstractNeuartige Aluminium‐Akkumulatoren (AlAKs) stellen eine nachhaltige Option für Energiespeichertechnologien der nächsten Generation mit niedrigen Kosten und beispielhafter Sicherheit dar. Die Entwicklung von AlAKs wird jedoch durch die begrenzte Verfügbarkeit von Hochleistungs‐Kathodenmaterialien eingeschränkt. In diesem Artikel beschreiben wir zwei Polyimid‐ basierte zweidimensionale Covalent‐Organic‐Framework‐ (2D COF) Elektrodenmaterialien mit redox‐bipolarer Fähigkeit in AlAKs. Die optimierte 2D‐COF‐Elektrode erreicht eine hohe spezifische Kapazität von 132 mAh g−1. Die Elektrode weist eine langfristige Zyklenstabilität auf (mit einem vernachlässigbaren Kapazitätsabfall von ≈0.0007 % pro Zyklus) und übertrifft damit frühere Ergebnisse organischer AlAK‐Kathoden. Unsere 2D‐COFs beinhalten n‐Type‐Imide und p‐Type‐Triazine als aktive Zentren im periodisch‐porösen Polymerskelett. Anhand umfänglicher Charakterisierungen erklären wir die ungewöhnliche Faradische Reaktion der 2D‐COF‐Elektrode, bei der AlCl2+‐ und AlCl4− Dualionen als Ladungsträger beteiligt sind. Diese Arbeit ebnet den Weg zu neuartigen organischen Kathodenmaterialien in AlAKs.
Analysis of the Dynamics of the Human Growth Hormone Secretagogue Receptor Reveals Insights into the Energy Landscape of the Molecule
Authors: Smith Albert A. , Pacull Emelyne M. , Stecher Sabrina , Hildebrand Peter W. , Vogel Alexander , Huster Daniel 
Published: May 2023

AbstractG protein‐coupled receptors initiate signal transduction in response to ligand binding. Growth hormone secretagogue receptor (GHSR), the focus of this study, binds the 28 residue peptide ghrelin. While structures of GHSR in different states of activation are available, dynamics within each state have not been investigated in depth. We analyze long molecular dynamics simulation trajectories using “detectors” to compare dynamics of the apo and ghrelin‐bound states yielding timescale‐specific amplitudes of motion. We identify differences in dynamics between apo and ghrelin‐bound GHSR in the extracellular loop 2 and transmembrane helices 5–7. NMR of the GHSR histidine residues reveals chemical shift differences in these regions. We evaluate timescale specific correlation of motions between residues of ghrelin and GHSR, where binding yields a high degree of correlation for the first 8 ghrelin residues, but less correlation for the helical end. Finally, we investigate the traverse of GHSR over a rugged energy landscape via principal component analysis.
Gold‐Catalyzed Formal [4+2] Cycloaddition as Access to Antitumor‐Active Spirocyclic Oxindoles from Alkynes and Isatin‐Derived Ketimines
Authors: Liu Yaowen , Dietl Martin C. , Heckershoff Robin , Han Chunyu , Shi Hongwei , Rudolph Matthias , Rominger Frank , Caligiuri Isabella , Asif Kanwal , Adeel Muhammad , Scattolin Thomas , Hashmi A. Stephen K. 
Published: May 2023

AbstractDue to its excellent bioactivity profile, which is increasingly utilized in pharmaceutical and synthetic chemistry, spirooxindole is an important core scaffold. We herein describe an efficient method for the construction of highly functionalized new spirooxindolocarbamates via a gold‐catalyzed cycloaddition reaction of terminal alkynes or ynamides with isatin‐derived ketimines. This protocol has a good functional group compatibility, uses readily available starting materials, mild reaction conditions, low catalyst loadings and no additives. It enables the transformation of various functionalized alkyne groups into cyclic carbamates. Gram‐scale synthesis was achieved and DFT calculations verify the feasibility of the mechanistic proposal. Some of the target products exhibit good to excellent antiproliferative activity on human tumor cell lines. In addition, one of the most active compounds displayed a remarkable selectivity towards tumor cells over normal ones.
Amplified Chirality Transfer to Aromatic Molecules through Non‐specific Inclusion by Amorphous, Hyperbranched Poly(fluorenevinylene) Derivatives
Authors: Wu Pengfei , Pietropaolo Adriana , Fortino Mariagrazia , Bando Masayoshi , Maeda Katsuhiro , Nishimura Tatsuya , Shimoda Shuhei , Sato Hiroyasu , Naga Naofumi , Nakano Tamaki 
Published: May 2023

AbstractOptically active, hyperbranched, poly(fluorene‐2,4,7‐triylethene‐1,2‐diyl) [poly(fluorenevinylene)] derivatives bearing a neomenthyl group and a pentyl group at the 9‐position of the fluorene backbone at various ratios acted as a chirality donor (host polymers) efficiently included naphthalene, anthracene, pyrene, 9‐phenylanthracene, and 9,10‐diphenyanthracene as a chirality acceptor (guest molecules) in their interior space in film as well as in solution, with the guest molecules exhibiting intense circular dichroism through chirality transfer with chirality amplification. The efficiency of the chirality transfer was much higher with higher‐molar‐mass polymers than lower‐molar‐mass ones as well as with hyperbranched polymers compared to the analogous linear ones. The hyperbranched polymers include the small molecules in their complex structure without any specific interactions at various stoichiometries. The included molecules may have ordered intermolecular arrangement that may be somewhat similar to those of liquid crystals. Naphthalene, anthracene, and pyrene included in the polymer exhibited efficient circularly polarized luminescence, where the chirality was remarkably amplified in excited states, and anthracene exhibited especially high anisotropies in the emission on the order of 10−2.