bluuebunny/crossref_metadata_2025_split huggingface dataset:
Revealing the Competition between Defect‐Trapped Exciton and Band‐Edge Exciton Photoluminescence in Monolayer Hexagonal WS2
Authors: Wu Ke , Zhong Hongxia , Guo Quanbing , Tang Jibo , Yang Zhenyu , Qian Lihua , Yuan Shengjun , Zhang Shunping , Xu Hongxing 
Published: January 2022

AbstractMonolayer transition‐metal dichalcogenides grown by chemical vapor deposition (CVD) always contain certain types of defects that dramatically affect their electronic and optical properties. For CVD‐grown hexagonal WS2 monolayer, complex photoluminescence (PL) patterns are commonly observed, but the defect‐related optical mechanisms are still not well understood. Here, by combining the optical and structural characterizations and ab initio calculations, the correlation between the patterned PL emission and the details of defects in CVD‐grown hexagonal WS2 monolayer are revealed. The temperature‐dependent PL spectra show the correlation between the defect‐trapped and band‐edge exciton emission. The high‐resolution scanning transmission electron microscopy identifies the positive correlation between the density of WSx‐vacancy and PL intensity. In the end, the ab initio calculations and molecule adsorption PL spectra show that the coexistence of p‐ and n‐doping effects, caused by the W and S complex vacancy, weakens the modulation of molecular adsorption on PL intensity. This work gives new insights into the origin of the inhomogeneous PL distribution in WS2 monolayer, which provides important guidance in the regulation of electronic and optical properties of transition‐metal dichalcogenides via defect engineering.
Transmission–Reflection‐Integrated Quadratic Phase Metasurface for Multifunctional Electromagnetic Manipulation in Full Space
Authors: Wang Jiangyu , Zhang Zuojun , Huang Cheng , Pu Mingbo , Lu Xinjian , Ma Xiaoliang , Guo Yinghui , Luo Jun , Luo Xiangang 
Published: January 2022

AbstractMetasurface has shown significant advantages in full‐space multifunctional electromagnetic (EM) manipulation due to its strong design capability. Here, a novel transmission–reflection‐integrated metasurface is proposed, which can simultaneously manipulate beam direction and polarization states. Through ingenious design based on the quadratic phase distribution, such a metasurface can dynamically control the beam deflection direction in both transmission and reflection modes by shifting the position of the feeding source. In addition, arbitrarily polarized EM waves can be generated based on the dual‐beam coherent interference method. The above EM functions are experimentally demonstrated at microwave frequencies. The wide‐angle beam steering performance is realized in full space, and its scanning range is beyond ±60°. More remarkably, the deflecting beam with different polarization states can be obtained by simultaneously illuminating the metasurface from the reflection and transmission sides with a specific phase difference. The measured results are in excellent accordance with the numerically simulated results, thus verifying the EM manipulation capability of the metasurface. The proposed design provides a new approach to achieve multifunctional beam manipulation in full space, which holds great promise in integrated optics, radar detection, and wireless communication.
Targeting PI3Kγ/AKT Pathway Remodels LC3‐Associated Phagocytosis Induced Immunosuppression After Radiofrequency Ablation
Authors: Liu Xiaodi , Zhang Wenyue , Xu Yanni , Xu Xiaolin , Jiang Qiongchao , Ruan Jingliang , Wu Ye , Zhou Yingshi , Saw Phei Er , Luo Baoming 
Published: January 2022

AbstractResidual tumors after insufficient radiofrequency ablation (IRFA) shows accelerated progression and anti‐PD‐1 resistance. It is also reported that macrophages infiltrating into residual tumors leads to anti‐PD‐1 resistance. Elements of autophagy have been detected to conjugate LC3 to be increasingly expressed in residual tumors. The underlying mechanisms between LC3 and macrophages are aimed to be investigated, and explore further ways to enhance immunotherapy in treating residual tumors. In mice models and patients, macrophages demonstrate increased infiltration into residual tumors, especially surrounding the ablated zone. Single‐cell transcriptome demonstrates enhancement of immunosuppression function in macrophages after IRFA. It is shown that macrophages engulf heat‐treated cells through LC3‐associated phagocytosis (LAP), enhance IL‐4 mediated macrophage programming through the PI3Kγ/AKT pathway, and suppress T cell proliferation. Blockade of the PI3Kγ/AKT pathway enhances the antitumor activity of PD‐1 blockades, inhibits malignant growth, and enhances survival in post‐IRFA models. In conclusion, in mice models and patients, macrophages demonstrate increased infiltration around ablated zones in residual tumors. Blockade of the PI3Kγ/AKT pathway suppresses the growth of residual tumors in subcutaneous and orthotopic models. The results illustrate the translational potential of PI3Kγ inhibitors to enhance anti‐PD‐1 therapy for the treatment of residual tumors after IRFA.
Severe Acute Respiratory Syndrome Type 2‐Causing Coronavirus: Variants and Preventive Strategies
Authors: Aydogdu Mehmet Onur , Rohn Jennifer L. , Jafari Nazila V. , Brako Francis , Homer‐Vanniasinkam Shervanthi , Edirisinghe Mohan 
Published: January 2022

AbstractCOVID‐19 vaccines have constituted a substantial scientific leap in countering severe acute respiratory syndrome type 2‐causing coronavirus (SARS‐CoV‐2), and worldwide implementation of vaccination programs has significantly contributed to the global pandemic effort by saving many lives. However, the continuous evolution of the SARS‐CoV‐2 viral genome has resulted in different variants with a diverse range of mutations, some with enhanced virulence compared with previous lineages. Such variants are still a great concern as they have the potential to reduce vaccine efficacy and increase the viral transmission rate. This review summarizes the significant variants of SARS‐CoV‐2 encountered to date (December 2021) and discusses a spectrum of possible preventive strategies, with an emphasis on physical and materials science.
Fast‐Response Oxygen Optical Fiber Sensor based on PEA2SnI4 Perovskite with Extremely Low Limit of Detection
Authors: Cai Shunshuo , Ju Yangyang , Wang Yangming , Li Xiaowei , Guo Tuan , Zhong Haizheng , Huang Lingling 
Published: January 2022

AbstractOxygen sensor is an important technique in various applications including industrial process control, medical equipment, biological fabrication, etc. The reported optical fiber‐based configurations so far, using gas‐sensitive coating do not meet the stringent performance targets, such as fast response time and low limit of detection (LOD). Tin‐based halide perovskites are sensitive to oxygen with potential use for sensor applications. Here, the halide perovskite‐based oxygen optical fiber sensor by combining phenylethylammonium tin iodide (PEA2SnI4) and tilted fiber Bragg grating (TFBG) is demonstrated. The PEA2SnI4‐based oxygen optical fiber sensor is reversible at room temperature with a response time of about 10 s, and the experimental LOD approaches to an extremely low oxygen concentration of about 50 ppm. The as‐fabricated oxygen sensor shows a relative response change of 0.6 dB for an oxygen concentration increase from 50 ppm to 5% with good gas selection against NO2, CO, CO2, H2. This work extends the sensor applications of halide perovskites, providing a novel technique for rapid and repeatable oxygen gas detection at a low level.
Insight on Organic Molecules in Aqueous Zn‐Ion Batteries with an Emphasis on the Zn Anode Regulation
Authors: Wang Donghong , Li Qing , Zhao Yuwei , Hong Hu , Li Hongfei , Huang Zhaodong , Liang Guojin , Yang Qi , Zhi Chunyi 
Published: January 2022

AbstractRechargeable aqueous zinc ion batteries (AZIBs), as a rising star in aqueous ion batteries, are restricted by the narrow voltage window and the unsatisfactory reversibility, which are dominated by the high activity of H2O molecules, side reaction, Zn dendrites, and structural degeneration of the cathode. Electrolyte manipulation has seen a great deal of research recently, particularly various kinds of organic molecules have been shown to achieve outstanding effects on stabilizing the Zn anode, yet the exploration of the mechanism behind the high performance has not been thorough. In an attempt to find such underlying principles, the basic reactions and the corresponding progress on the anode side of AZIBs are first assessed. Then, the roles of organic molecules in recent studies are researched, followed by a deep insight into the role of organic molecules. Finally, several designed strategies are proposed for the further exploration of high performance aqueous rechargeable ZIBs through incorporating appropriate organic molecules in the electrolytes.
Optimizing Hydrogen Adsorption by d–d Orbital Modulation for Efficient Hydrogen Evolution Catalysis
Authors: Liu Jiangchao , Tang Chongyang , Ke Zunjian , Chen Rui , Wang Hongbo , Li Wenqing , Jiang Changzhong , He Dong , Wang Gongming , Xiao Xiangheng 
Published: January 2022

AbstractUnraveling the essence of hydrogen adsorption and desorption behaviors can fundamentally guide catalyst design and promote catalytic performance. Herein, the regulation of hydrogen adsorption is systematically investigated by d–d orbital interaction of metallic tungsten dioxide (WO2). Theoretical simulations show that the incorporation of post‐transition metal atoms including Fe, Co, Ni, and Cu can gradually reduce the bond order of W—M sites, consequently weakening the hydrogen adsorption and accelerating the hydrogen evolution reaction (HER) process. Under that theoretical guidance, various 3d metal doped WO2 electrocatalysts are systematically screened for HER catalysis. Among them, the Ni‐WO2/nickel foam exhibits an overpotential of 41 mV (−10 mA cm−2) and Tafel slope down to 47 mV dec−1 representing the best tungsten‐based HER catalysts so far. This work demonstrates that optimizing hydrogen adsorption via d–d orbital modulation is an effective approach to developing efficient and robust catalysts.
Electrical conductivity measurements and the nonhomogeneous settling behavior of aqueous suspensions of barite
Authors: Raposa Rocha Robson , Francisco Oechsler Bruno , Scheid Cláudia Míriam , Calçada Luís Américo , Meleiro Luiz Augusto 
Published: January 2022

AbstractUsing electrical conductivity measurements to monitor the local concentration of solids indirectly in settling tests is a practice already explored in the literature. However, since suspended particles may comprise a mixture of solids, a new suspension preparation methodology and calibration procedure were proposed to eliminate the influence of soluble materials on conductivity measurements. This article investigates water‐barite suspensions of 10%, 15%, and 20% v/v in solids. Their settling dynamics resulted in particle Reynolds numbers and Peclet numbers always smaller than 0.0012 and larger than 2100, respectively. Particle agglomeration, multiple boundaries (layers of different maximum local concentrations), channeling (formation of flow paths or channels), and particulate stratification were some phenomena inferred from the results. Hence, this article illustrates that settling behaviors typically seen in solid–liquid mixtures of non‐Newtonian continuous phase can also occur in aqueous suspensions, indicating there are still considerable challenges to understanding the process of gravitational settling.
Generative model‐enhanced human motion prediction
Authors: Bourached Anthony , Griffiths Ryan‐Rhys , Gray Robert , Jha Ashwani , Nachev Parashkev 
Published: January 2022

AbstractThe task of predicting human motion is complicated by the natural heterogeneity and compositionality of actions, necessitating robustness to distributional shifts as far as out‐of‐distribution (OoD). Here, we formulate a new OoD benchmark based on the Human3.6M and Carnegie Mellon University (CMU) motion capture datasets, and introduce a hybrid framework for hardening discriminative architectures to OoD failure by augmenting them with a generative model. When applied to current state‐of‐the‐art discriminative models, we show that the proposed approach improves OoD robustness without sacrificing in‐distribution performance, and can theoretically facilitate model interpretability. We suggest human motion predictors ought to be constructed with OoD challenges in mind, and provide an extensible general framework for hardening diverse discriminative architectures to extreme distributional shift. The code is available at: https://github.com/bouracha/OoDMotion.
Werner syndrome in a Lebanese family
Authors: Jaafar Batoul , Nasrallah Mona , Sievers Bianca , Oshima Junko , Lessel Davor 
Published: January 2022

AbstractWerner syndrome (WS) is an extremely rare, autosomal recessive segmental progeroid disorder caused by biallelic pathogenic variants in the WRN, which encodes a multifunctional nuclear protein that belongs to the RecQ family of DNA helicases. Despite extensive research on WS in the last years, the population‐specific mutational spectrum still needs to be elucidated. Moreover, there is an evident lack of detailed clinical descriptions accompanied with photographs of affected individuals. Here, we report a consanguineous Lebanese family in whom we identified a pathogenic homozygous nonsense variant c.1111G>T, p.Glu371* in the WRN. The index individual, at the age of 54 years, was suspected to have WS due to a history of early‐onset cataracts, premature hair loss and graying, chronic nonhealing leg ulcers, Achilles' tendon calcifications, type 2 diabetes mellitus, dyslipidemia, hypothyroidism, and premature coronary artery disease. His four sisters, three of which deceased in the fifth decade, had clinical signs suggestive of WS. Moreover, his daughter, aged 23 years, had short stature, hair loss and flat feet. Taken together, we report a detailed clinical course of disease in several affected members of a consanguineous family, which is additionally documented by photographs.
Progress in Spinconversion and its Connection with Band Crossing
Authors: Puebla Jorge , Hwang Yunyoung , Kondou Kouta , Otani Yoshichika 
Published: January 2022

AbstractSpinconversion is a collective concept underlying spin mediated energy interconversion among electricity, light, sound, vibration, and heat. Particularly in the last couple of decades, the increasing research efforts result in enhancements of spinconversion efficiencies and the discovery of novel spinconversion mechanisms. Here, an overview of the progress in spinconversion is layed out. In particular, the involvement of band crossings at which quasiparticles are formed with consequences beyond that of efficient spinconverison are discussed.
Rational Design of Zinc/Zeolite Catalyst: Selective Formation of p‐Xylene from Methanol to Aromatics Reaction
Authors: Wang Ning , Li Jing , Sun Wenjing , Hou Yilin , Zhang Lan , Hu Xiaomin , Yang Yifeng , Chen Xiao , Chen Congmei , Chen Biaohua , Qian Weizhong 
Published: January 2022

AbstractThe production of p‐xylene from the methanol to aromatics (MTA) reaction is challenging. The catalytic stability, which is inversely proportional to the particle size of the zeolite, is not always compatible with p‐xylene selectivity, which is inversely proportional to the external acid sites. In this study, based on a nano‐sized zeolite, we designed hollow triple‐shelled Zn/MFI single crystals using the ultra‐dilute liquid‐phase growth technique. The obtained composites possessed one ZSM‐5 layer (≈30 nm) in the middle and two silicalite‐1 layers (≈20 nm) epitaxially grown on two sides of ZSM‐5, which exhibited a considerably long lifetime (100 % methanol conversion >40 h) as well as an enhanced shape selectivity of p‐xylene (>35 %) with a p‐xylene/xylene ratio of ≈90 %. Importantly, using this sandwich‐like zeolite structure, we directly imaged the Zn species in the micropores of only the ZSM‐5 layer and further determined the specific structure and anchor location of the Zn species.
Chemiluminescent 1,2‐Dioxetane Iridium Complexes for Near‐Infrared Oxygen Sensing
Authors: Kagalwala Husain N. , Gerberich Jeni , Smith Chancellor J. , Mason Ralph P. , Lippert Alexander R. 
Published: January 2022

AbstractChemiluminescent iridium‐based sensors which demonstrate oxygen dependent responses have been developed. The molecular probes, named IrCL‐1, IrCL‐2 and IrCL‐3 consist of oxygen‐sensitive iridium complexes attached to a spiroadamantane 1,2 dioxetane and operate via energy transfer from the chemiexcited benzoate to the corresponding iridium(III) complex. Complexing the iridium(III) center with π‐extended ligands results in emission in the biologically relevant, near‐infrared (NIR) region. All probes demonstrate varying oxygen tolerance, with IrCL‐1 being the most oxygen sensitive. These probes have been further utilized for in vitro ratiometric imaging of oxygen, as well as for intraperitoneal, intramuscular and intratumoral imaging in live mice. To our knowledge, these are the first iridium‐based chemiluminescent probes that have been employed for in vitro ratiometric oxygen sensing, and for in vivo tumor imaging.
Spatially Confined Intervention of Cellular Senescence by a Lysosomal Metabolism Targeting Molecular Prodrug for Broad‐Spectrum Senotherapy
Authors: Xia Yinghao , Li Jili , Wang Linlin , Luo Xiyuan , Xie Yuqi , Liu Yanlan 
Published: January 2022

AbstractSpecific intervention of senescent cells (SnCs) is emerging as a powerful means to counteract aging and age‐related diseases. Canonical methods are generally designed to target SnC‐associated signaling pathways, which are however dynamically changing and highly heterogeneous in SnCs, significantly limiting the effectiveness. Here, we present a tailor‐made molecular prodrug targeting lysosome dysfunction, a unique feature shared by virtually all types of SnCs. The prodrug comprises three modules all targeting the altered lysosomal programs in SnCs, namely, a recognizing unit towards the elevated lysosome content, a linker cleavable by the activated lysosomal enzyme, and a lysosomotropic agent targeting the increased lysosomal membrane sensitivity. This spatially confined design enables killing broad‐spectrum SnCs, with high specificity over non‐SnCs. Along with in vivo benefits, this work offers a way to significantly expand the applicability of senotherapy in a wide range of diseases.
Mapping the Morphological Landscape of Oligomeric Di‐block Peptide–Polymer Amphiphiles**
Authors: Allen Benjamin P. , Wright Zoe M. , Taylor Hailey F. , Oweida Thomas J. , Kader‐Pinky Sabila , Patteson Emily F. , Bucci Kara M. , Cox Caleb A. , Senthilvel Abishec Sundar , Yingling Yaroslava G. , Knight Abigail S. 
Published: January 2022

AbstractPeptide–polymer amphiphiles (PPAs) are tunable hybrid materials that achieve complex assembly landscapes by combining the sequence‐dependent properties of peptides with the structural diversity of polymers. Despite their promise as biomimetic materials, determining how polymer and peptide properties simultaneously affect PPA self‐assembly remains challenging. We herein present a systematic study of PPA structure–assembly relationships. PPAs containing oligo(ethyl acrylate) and random‐coil peptides were used to determine the role of oligomer molecular weight, dispersity, peptide length, and charge density on self‐assembly. We observed that PPAs predominantly formed spheres rather than anisotropic particles. Oligomer molecular weight and peptide hydrophilicity dictated morphology, while dispersity and peptide charge affected particle size. These key benchmarks will facilitate the rational design of PPAs that expand the scope of biomimetic functionality within assembled soft materials.
Intermolecular Energy Gap‐Induced Formation of High‐Valent Cobalt Species in CoOOH Surface Layer on Cobalt Sulfides for Efficient Water Oxidation
Authors: Yao Na , Wang Gongwei , Jia Hongnan , Yin Jinlong , Cong Hengjiang , Chen Shengli , Luo Wei 
Published: January 2022

AbstractTransition metal‐based electrocatalysts will undergo surface reconstruction to form active oxyhydroxide‐based hybrids, which are regarded as the “true‐catalysts” for the oxygen evolution reaction (OER). Much effort has been devoted to understanding the surface reconstruction, but little on identifying the origin of the enhanced performance derived from the substrate effect. Herein, we report the electrochemical synthesis of amorphous CoOOH layers on the surface of various cobalt sulfides (CoSα), and identify that the reduced intermolecular energy gap (Δinter) between the valence band maximum (VBM) of CoOOH and the conduction band minimum (CBM) of CoSαcan accelerate the formation of OER‐active high‐valent Co4+species. The combination of electrochemical and in situ spectroscopic approaches, including cyclic voltammetry (CV), operando electron paramagnetic resonance (EPR) and Raman, reveals that Co species in the CoOOH/Co9S8are more readily oxidized to CoO2/Co9S8than in CoOOH and other CoOOH/CoSα. This work provides a new design principle for transition metal‐based OER electrocatalysts.
Combining a Genetically Engineered Oxidase with Hydrogen‐Bonded Organic Frameworks (HOFs) for Highly Efficient Biocomposites
Authors: Wied Peter , Carraro Francesco , Bolivar Juan M. , Doonan Christian J. , Falcaro Paolo , Nidetzky Bernd 
Published: January 2022

AbstractEnzymes incorporated into hydrogen‐bonded organic frameworks (HOFs) via bottom‐up synthesis are promising biocomposites for applications in catalysis and sensing. Here, we explored synthetic incorporation of d‐amino acid oxidase (DAAO) with the metal‐free tetraamidine/tetracarboxylate‐based BioHOF‐1 in water. N‐terminal enzyme fusion with the positively charged module Zbasic2 strongly boosted the loading (2.5‐fold; ≈500 mg enzyme gmaterial−1) and the specific activity (6.5‐fold; 23 U mg−1). The DAAO@BioHOF‐1 composites showed superior activity with respect to every reported carrier for the same enzyme and excellent stability during catalyst recycling. Further, extension to other enzymes, including cytochrome P450 BM3 (used in the production of high‐value oxyfunctionalized compounds), points to the versatility of genetic engineering as a strategy for the preparation of biohybrid systems with unprecedented properties.
Sol–gel method synthesized Ce‐doped TiO2 visible light photocatalyst for degradation of organic pollutants
Authors: Bhosale Mangesh G. , Sutar Radhakrishna S. , Londhe Swati S. , Patil Meghshyam K. 
Published: January 2022

The Ce‐doped TiO2 nanoparticles were prepared by the sol–gel method. The prepared nanoparticles were characterized by sophisticated analytical techniques such as XRD, FESEM with EDX, HR‐TEM, XPS, FTIR, TGA, and UV–visible spectroscopy, which gives structural features, morphology, elemental composition, and thermal stability of prepared nanoparticles. Based on the analysis, we conclude that increasing the dopant content of cerium in TiO2 results in a decrease in particle size, increase in thermal stability, and decrease in band gap. Further, on increasing the dopant content of cerium, there is an increase in photocatalytic activity due to changes in structural features due to doping, and 5 mol% Ce‐doped TiO2 has shown nearly four times higher photocatalytic activity than pure TiO2 for degradation of tetracycline. In this study, the photocatalytic activity and kinetics of photocatalytic degradation of antibacterial agent tetracycline have been studied by using these prepared catalysts. Further, effects of different parameters such as change in pH and change in concentration of tetracycline and amount of catalyst loading have been studied for the degradation of tetracycline. Also, Ce‐doped TiO2 has shown good photocatalytic efficiency for degradation of a mixture of textile dyes (methylene blue, rhodamine B, and brilliant green) and for degradation of a mixture of emerging contaminants (tetracycline, diclofenac, and triclosan).