bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Series of Singlet‐Triplet InVerted TADF Fluorescent Probes with High Stability, Low Molecular Weight, and Synthesis Accessibility
Authors: Su Rongchuan , Huang Zhenmei 
Published: March 2023

AbstractThermally activated delayed fluorescence (TADF)‐based fluorescent biological probes embedded with near infrared (NIR) emission have some unique properties, such as minimal photodamage, low light scattering, and deep tissue penetration. Typical TADF materials are based on electron donors and acceptors, all of them have broad emission and high molecular weight, which is not ideal for biological applications. The cycl[3,3,3]azine is a multiple resonance effect (MRE)‐like TADF fluorescent compound, with narrow NIR emission, inverted singlet‐triplet gaps, and low molecular weight, which is an ideal platform for biological applications. However, the low stability of cycl[3,3,3]azine and its anti‐Kasha's rule nature limit its biological applications. In this work, the authors have rationally investigated the decomposition process of cycl[3,3,3]azine, and a series of NIR and MRE‐like molecules are designed. These molecules would be stable in the biological environment and NIR fluorescence can also be emitted from the first excited state, the synthesis route has also been proposed. In a word, this work provides a series of biological probes with inverted singlet‐triplet gaps, good stability, and low molecular weight for further study.
Enhancement of Piezoelectricity by Novel Poling Method of the Rare‐Earth Modified BiFeO3–BaTiO3 Lead‐Free Ceramics
Authors: Habib Muhammad , Zhou Xuefan , Tang Lin , Xue Guoliang , Rahman Attaur , Akram Fazli , Zhang Dou 
Published: March 2023

AbstractIn piezoceramics, the Curie temperature (TC) and piezoelectric coefficient (d33) are often inversely proportional, so it is very difficult to optimize high piezoelectricity and TC simultaneously. In addition, the high and temperature‐insensitive piezoelectric strain coefficient (d33*) with small hysteresis is also a longstanding obstacle in the development of lead‐free ceramics. In this work, a facile approach of donor doping strategy is adopted to replace Ba2+ with Yb3+, Y3+, Sm3+, and Nd3+ as a result, a high TC of 450 °C and outstanding d33 of 422–436 pC N−1 is achieved by a novel magnetic poling method. Thermally‐stable and outstanding piezoelectric strain performance (d33* ≈ 520–550 pm V−1 and ΔST ≈ 10%) with small strain hysteresis (H < 20%) results are highly encourageable in lead‐free ceramics. The main factors contributing to high piezoelectricity are the morphotropic phase boundary, suppression of defect charges by donor doping, thermal quenching, mesoscale nanodomain size, and novel poling method. The excellent piezoelectric performance and high TC of this work are superior to those of state‐of‐the‐art piezoceramics. The synergistic approaches of compositional design strategy and novel poling process in this work are highly beneficial for temperature‐insensitive piezoelectric sensor and actuator applications.
Unexpected Piezoresistive Effect, Room‐Temperature Ferromagnetism, and Thermal Stability of 2D β‐CuI Crystals in Reduced Graphene Oxide Membrane
Authors: Peng Bingquan , Zhang Quan , Zhang Yueyu , Zhao Yimin , Hou Shengyue , Yang Yizhou , Dai Fangfang , Yi Ruobing , Chen Ruoyang , Wang Jun , Zhang Lei , Chen Liang , Zhang Shengli , Fang Haiping 
Published: March 2023

Abstract2D materials are promising nanomaterials for future applications due to their predominant quantum effects and unique properties in optics, electrics, magnetics, and mechanics. However, explorations in unique properties and potential applications of novel 2D materials have been hampered by synthesis and their stability under ambient conditions. Recently, in the graphene, 2D β‐CuI is observed experimentally under ambient conditions. Here, it is shown that this 2D β‐CuI@graphene possesses unexpected piezoresistive effect and room‐temperature ferromagnetism. Moreover, this 2D β‐CuI crystal is likely to be stable in a wide range of temperature, that is, below 900 K. Theoretical studies reveal that the unexpected piezoresistive effect is mainly attributable to the convergence of the electrons on Cu and I atoms to the Fermi level with increasing strain. There is a magnetic moment that is ≈0.97 μB on the edge of β‐CuI nanocrystal created by an iodine vacancy, which is considered the origin of such strong room‐temperature ferromagnetism. Clearly, the 2D β‐CuI@graphene provides a promising nanomaterial in the nano‐sensors with low power consumption pressure and magnetic nano‐devices with a size down to atomic scale. The discovery in the present work will evoke various new 2D nanomaterials with novel properties in nanotechnology, biotechnology, sensor materials, and technologies.
S‐Scheme Co9S8@Cd0.8Zn0.2S‐DETA Hierarchical Nanocages Bearing Organic CO2 Activators for Photocatalytic Syngas Production
Authors: Su Bo , Zheng Mei , Lin Wei , Lu Xue Feng , Luan Deyan , Wang Sibo , Lou Xiong Wen (David) 
Published: March 2023

AbstractDelicate modulations of CO2 activation and charge carrier separation/migration are challenging, yet imperative to augment CO2 photoreduction efficiency. Herein, by supporting diethylenetriamine (DETA)‐functionalized Cd0.8Zn0.2S nanowires on the exterior surface of hollow Co9S8 polyhedrons, hierarchical Co9S8@Cd0.8Zn0.2S‐DETA nanocages are fabricated as an S‐scheme photocatalyst for reducing CO2 and protons to produce syngas (CO and H2). The amine groups strengthen adsorption and activation of CO2, while the “nanowire‐on‐nanocage” hierarchical hollow heterostructure with an S‐scheme interface boosts separation and transfer of photoinduced charges. Employing Co(bpy)32+ as a cocatalyst, the optimal photocatalyst effectively produces CO and H2 in rates of 70.6 and 18.6 µmol h−1 (i.e., 4673 and 1240 µmol g−1 h−1), respectively, affording an apparent quantum efficiency of 9.45% at 420 nm, which is the highest value under comparable conditions. Ultraviolet photoelectron spectroscopy, Kelvin probe, and electron spin resonance confirm the S‐schematic charge‐transfer process in the photocatalyst. The key COOH* species responsible for CO2‐to‐CO reduction is detected by in‐situ diffuse reflectance infrared Fourier transform spectroscopy and endorsed by density functional theory calculations, and thus a possible CO2 reduction mechanism is proposed.
Alternative Energy Carriers: Unique Interfaces for Electrochemical Hydrogenic Transformations
Authors: Carroll Gerard M. , Gebbie Matthew A. , Stahl Shannon S. , Johnson Mathew R. , Luca Oana R. , Petersen Haley A. , Bomble Yannick J. , Neale Nathan R. , Cortright Randy D. 
Published: March 2023

AbstractThe shift toward renewable energy generation sources, characterized by their non‐carbon emitting but variable nature, has spurred significant innovation in energy storage technologies. Advancements in foundational understanding from investments in basic science and clever engineering solutions, coupled with increasing industrial adoption, have resulted in a notable reduction in the cost of storing electricity from variable energy generation sources. These developments have paved the way for the exploration of new and innovative forms of energy storage that deviate from traditional technologies. In this perspective, it is posited that the progress made in energy storage research over recent years has opened the door to the development of energy carriers for technologies that are yet to be realized. To illustrate this concept, examples of alternative energy carriers are provided within the context of unique electrochemical interfaces for electrochemical hydrogenic transformations. The unique properties of these interfaces and electrochemical systems can be leveraged in ways not yet imagined, creating new possibilities for energy storage. A perspective on the progress and challenges for each interface as well as a general outlook for the advancement of energy carrier systems are provided.
A Degradable and Biocompatible Supercapacitor Implant Based on Functional Sericin Hydrogel Electrode
Authors: Lv Qiying , Li Xiaoye , Tian Xin , Fu Da‐an , Liu Huan , Liu Jia , Song Yu , Cai Bo , Wang Jian , Su Qiangfei , Chen Wei , Zou Meizhen , Xiao Fei , Wang Shuai , Wang Zheng , Wang Lin 
Published: March 2023

AbstractImplantable power sources face great challenges in balancing multiple factors including high performance, biocompatibility, mechanical properties for soft tissue fit, and biodegradability. Toward this goal, a simple and feasible method is proposed to prepare implantable a hydrogel‐based supercapacitor (SC). Specially, a multinetwork conductive electrode is in situ formed by aminated‐reduced‐graphene‐oxide‐and‐methacrylic‐anhydride‐comodified sericin (SrMA/A‐rGO) sequentially cross‐linking with four‐arm polyethylene glycol succinimide carbonate and polyethylene glycol acrylate. The conductive multinetwork endows the SrMA/A‐rGO‐based SC implant an equivalent series resistance of 21 Ω cm−2, a volumetric energy density of 26.0 µW cm−2, and a high specific capacitance retention (over 76.4%) after long‐term charging/discharging. Two SCs connected in tandem are able to light up a light‐emitting diode for both in vitro and in vivo studies. Moreover, they can work as a direct output power source to electrically stimulate a stopped heart to start beating again. Additionally, the SC exhibits superior biocompatibility and biodegradability in vivo, and holds the value of specific capacitance above 30% 2 weeks after implantation. Thus, this work demonstrates the SrMA/A‐rGO‐based SC's potential to serve as a power storage unit for medical implants (such as a temporary pacemaker).
11.4% Efficiency Kesterite Solar Cells on Transparent Electrode
Authors: Zhou Yage , Xiang Chunxu , Dai Qi , Xiang Sitong , Li Ran , Gong Yuancai , Zhu Qiang , Yan Weibo , Huang Wei , Xin Hao 
Published: March 2023

AbstractThin film solar cells on semitransparent substrates are attracting much attention due to new application scenarios including building‐integrated photovoltaics (BIPV). Environmentally‐benign element constituted and highly stable kesterite Cu2ZnSn(S,Se)4 (CZTSSe) thin film solar cells are ideal candidates for such applications. However, the efficiency of kesterite solar cells on semitransparent substrates is far behind that on opaque Mo‐based substrates. Here, fabrication of CZTSSe solar cells on fluorine‐doped tin oxide (FTO) substrates from molecular solution and how step‐by‐step absorber engineering improves device performance is reported. A power conversion efficiency of 7.02% is obtained when the absorber is fabricated on bare FTO, which is improved to 9.56% after adding a MoO3 interfacial layer. Investigations show the enhancement originates from the transformation of MoO3 to MoSe2 during film selenization which initiates crystallization at the back contact and at the same time prevents oversize grains at the absorber surface. Na‐doping and Ag alloying further facilitate grain growth and mitigate band tailing, resulting in a certified effective area efficiency of 11.43% with all device parameters comparable to that on an Mo‐substrate. This is the first time highly efficient kesterite solar cells are demonstrated on transparent electrodes, which opens up new opportunities for these earth‐abundant elements composed of thin film photovoltaics.
Comparing Methods of Characterizing Energetic Disorder in Organic Solar Cells
Authors: Hartnagel Paula , Ravishankar Sandheep , Klingebiel Benjamin , Thimm Oliver , Kirchartz Thomas 
Published: March 2023

AbstractThe energetic disorder has been known for decades to limit the performance of structurally disordered semiconductors such as amorphous silicon and organic semiconductors. However, in the past years, high‐performance organic solar cells have emerged showing a continuously reduced amount of energetic disorder. While searching for future high‐efficiency material systems, it is therefore important to correctly characterize this energetic disorder. While there are several techniques in the literature, the most common approaches to probe the density of defect states are using optical excitation as in external quantum efficiency measurements, or sequential filling of the tail states by applying an external voltage as in admittance spectroscopy. A metanalysis of available literature, as well as the experiments using four characterization techniques on two material systems, reveal that electrical, voltage‐dependent measurements frequently yield higher values of energetic disorder than optical measurements. With drift‐diffusion simulations, it is demonstrated that the approaches probe different energy ranges of the subband‐gap density of states. The limitations of the techniques are further explored and it is found that extraction of information from a capacitance‐voltage curve can be inhibited by internal series resistance. Thereby, the discrepancies between measurement techniques with sensitivity to different energy ranges and electronic parameters are explained.
Science‐guided data analytics for selecting ionic liquid solvents for aromatic extraction
Authors: McNeeley Adam , Tsai Chang‐Che , Lin Shiang‐Tai , Liu Y. A. 
Published: March 2023

AbstractIonic liquids (ILs) are promising solvents for the aromatic extraction process. An attractive characteristic is the existence of hundreds of ILs that exhibit different properties. To identify key properties of IL solvents for an energy‐optimum aromatic extraction, we use process simulation to generate the process datasets for multivariate data analytics with partial least squares, and use science‐guided fundamentals to develop an IL heat load variable (HLV). We consider 16 well‐studied ILs and correlate process steam duty and process variables affecting equipment size to the HLV for ethylene cracker feeds of low aromatic content. For such feeds in an IL aromatic extraction process, 11 of 16 ILs show energy advantage compared with sulfolane solvent with the lowest energy IL process requiring 57% of total energy required for an equivalent sulfolane process. Our results facilitate the IL solvent selection for pilot tests and subsequent commercialization of an IL aromatic extraction process.
SOX5: Lamb–Shaffer syndrome—A case series further expanding the phenotypic spectrum
Authors: Edgerley Katharine , Bryson Lisa , Hanington Lucy , Irving Rachel , Joss Shelagh , Lampe Anne , Maystadt Isabelle , Osio Deborah , Richardson Ruth , Split Miranda , Sansbury Francis H. , Scurr Ingrid , Stewart Helen , McNeil Alisdair , Low Karen 
Published: March 2023

AbstractTo delineate further the clinical phenotype of Lamb–Shaffer Syndrome (LSS) 16 unpublished patients with heterozygous variation in SOX5 were identified either through the UK Decipher database or the study team was contacted by clinicians directly. Clinical phenotyping tables were completed for each patient by their responsible clinical geneticist. Photos and clinical features were compared to assess key phenotypes and genotype–phenotype correlation. We report 16 SOX5 variants all of which meet American College of Medical Genetics/Association for Clinical Genomic Science ACMG/ACGS criteria class IV or V. 7/16 have intragenic deletions of SOX5 and 9/16 have single nucleotide variants (including both truncating and missense variants). The cohort includes two sets of monozygotic twins and parental gonadal mosaicism is noted in one family. This cohort of 16 patients is compared with the 71 previously reported cases and corroborates previous phenotypic findings. As expected, the most common findings include global developmental delay with prominent speech delay, mild to moderate intellectual disability, behavioral abnormalities and sometimes subtle characteristic facial features. We expand in more detail on the behavioral phenotype and observe that there is a greater tendency toward lower growth parameters and microcephaly in patients with single nucleotide variants. This cohort provides further evidence of gonadal mosaicism in SOX5 variants; this should be considered when providing genetic counseling for couples with one affected child and an apparently de novo variant.
Two‐Qubit Steerability, Nonlocality, and Average Steered Coherence under Classical Dephasing Channels
Authors: Rahman Atta ur , Abd‐Rabbou M. Y. , Haddadi Saeed , Ali Hazrat 
Published: March 2023

AbstractWhen two qubits are prepared in a mixture of two Bell states and exposed to local transmission channels, the dynamics of steerability, Bell nonlocality, and average steered coherence are investigated. Disorders are assumed to influence the channels, resulting in either Markovian Ornstein–Uhlenbeck noise or non‐Markovian static noise in two models: a single noisy channel or two local noisy channels. Their findings show that the type and number of classical channels, noise, and initial state must be in an optimal setting in order to preserve quantum correlations.
A Tunable Colorimetric Carbon Dioxide Sensor Based on Ion‐Exchanger‐ and Chromoionophore‐Doped Hydrogel
Authors: Zhang Yupu , Du Xinfeng , Zhai Jingying , Xie Xiaojiang 
Published: March 2023

AbstractWe report here a colorimetric carbon dioxide (CO2) optode sensor with a polypropylene microporous membrane on top of a thin layer (30 μm) of polyurethane hydrogel. The diffusion of CO2 across the polypropylene membrane induced pH changes in the hydrogel containing a lipophilic indicator, a cation exchanger, and a cationic amine. The ratio of the indicator and the cation exchanger was successfully utilized to adjust the sensitivity of the CO2 response. Increasing the relative amount of the cation exchanger made the sensor much more sensitive to CO2 in the lower concentration range. Moreover, the carbarmic formation reaction between the primary amine and CO2 was investigated. The results indicated a very small contribution of carbarmic formation to the overall pH change. With a detection limit of 0.014 % for the CO2 partial pressure, the sensor was successful applied to monitor CO2 evolution during yeast catalyzed flour fermentation.
Involvement of Transcriptional Factor Pbx1 in Peripheral B Cell Homeostasis to Constrain Lupus Autoimmunity
Authors: Gu Shuangshuang , Zhang Jinsong , Han Xiaxia , Ding Huihua , Yao Chao , Ye Zhizhong , Yin Zhihua , Hou Guojun , Jiang Yang , Qian Jie , Zhou Haibo , Guo Qiang , Chen Sheng , Dai Dai , Shen Nan 
Published: March 2023

ObjectiveDisruption of B cell homeostasis and subsequent dominance of effector B cell subsets are critical for the development of systemic lupus erythematosus (SLE). Revealing the key intrinsic regulators involved in the homeostatic control of B cells has important therapeutic value for SLE. This study was undertaken to determine the regulatory role of the transcription factor Pbx1 in B cell homeostasis and lupus pathogenesis.MethodsWe constructed mice with B cell–specific deletion of Pbx1. T cell–dependent and T cell–independent humoral responses were induced by intraperitoneal injection of nitrophenyl‐containing hapten (NP) conjugated to keyhole limpet hemocyanin or NP‐Ficoll. The regulatory effects of Pbx1 on autoimmunity were observed in a Bm12‐induced lupus murine model. We investigated mechanisms of Pbx1 using RNA sequencing, the cleavage under targets and tagmentation assay, and chromatin immunoprecipitation–quantitative polymerase chain reaction assay. We transduced B cells from SLE patients with plasmids that overexpressed PBX1 to explore the in vitro therapeutic efficacy of PBX1.ResultsPbx1 was specifically down‐regulated in autoimmune B cells and negatively correlated with disease activity. The deficiency of Pbx1 in B cells resulted in excessive humoral responses following immunization. In the Bm12‐induced lupus model, mice with B cell–specific Pbx1 deficiency displayed enhancements in germinal center responses, plasma cell differentiation, and autoantibody production. Pbx1‐deficient B cells had increased survival and proliferative advantages after activation. Pbx1 regulated genetic programs by directly targeting critical components of the proliferation and apoptosis pathways. In SLE patients, PBX1 expression was negatively correlated with effector B cell expansion; when PBX1 expression was enforced, the survival and proliferative capacity of SLE B cells were attenuated.ConclusionOur study reveals the regulatory function and mechanism of Pbx1 in adjusting B cell homeostasis and highlights Pbx1 as a therapeutic target in SLE.
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Contactin‐6‐deficient male mice exhibit the abnormal function of the accessory olfactory system and impaired reproductive behavior
Authors: Zhang Wei , Huang Huiling , Gui Ailing , Mu Di , Zhao Tian , Li Hongtao , Watanabe Kazutada , Xiao Zhicheng , Ye Haihong , Xu Yiliang 
Published: March 2023

AbstractIntroductionContactin‐6 (CNTN6), also known as NB‐3, is a neural recognition molecule and a member of the contactin subgroup of the immunoglobulin superfamily. Gene encoding CNTN6 is expressed in many regions of the neural system, including the accessory olfactory bulb (AOB) in mice. We aim to determine the effect of CNTN6 deficiency on the function of the accessory olfactory system (AOS).MethodsWe examined the effect of CNTN6 deficiency on the reproductive behavior of male mice through behavioral experiments such as urine sniffing and mate preference tests. Staining and electron microscopy were used to observe the gross structure and the circuitry activity of the AOS.ResultsCntn6 is highly expressed in the vomeronasal organ (VNO) and the AOB, and sparsely expressed in the medial amygdala (MeA) and the medial preoptic area (MPOA), which receive direct and/or indirect projections from the AOB. Behavioral tests to examine reproductive function in mice, which is mostly controlled by the AOS, revealed that Cntn6−/− adult male mice showed less interest and reduced mating attempts toward estrous female mice in comparison with their Cntn6+/+ littermates. Although Cntn6−/− adult male mice displayed no obvious changes in the gross structure of the VNO or AOB, we observed the increased activation of granule cells in the AOB and the lower activation of neurons in the MeA and the MPOA as compared with Cntn6+/+ adult male mice. Moreover, there were an increased number of synapses between mitral cells and granule cells in the AOB of Cntn6−/− adult male mice as compared with wild‐type controls.ConclusionThese results indicate that CNTN6 deficiency affects the reproductive behavior of male mice, suggesting that CNTN6 participated in normal function of the AOS and its ablation was involved in synapse formation between mitral and granule cells in the AOB, rather than affecting the gross structure of the AOS.