bluuebunny/crossref_metadata_2025_split huggingface dataset:
Catalytic Effects of Electrodes and Electrolytes in Metal–Sulfur Batteries: Progress and Prospective
Authors: Zeng Linchao , Zhu Jianhui , Chu Paul K. , Huang Licong , Wang Jiahong , Zhou Guangmin , Yu Xue‐Feng 
Published: July 2022

AbstractMetal–sulfur (M–S) batteries are promising energy‐storage devices due to their advantages such as large energy density and the low cost of the raw materials. However, M–S batteries suffer from many drawbacks. Endowing the electrodes and electrolytes with the proper catalytic activity is crucial to improve the electrochemical properties of M–S batteries. With regard to the S cathodes, advanced electrode materials with enhanced electrocatalytic effects can capture polysulfides and accelerate electrochemical conversion and, as for the metal anodes, the proper electrode materials can provide active sites for metal deposition to reduce the deposition potential barrier and control the electroplating or stripping process. Moreover, an advanced electrolyte with desirable design can catalyze electrochemical reactions on the cathode and anode in high‐performance M–S batteries. In this review, recent progress pertaining to the design of advanced electrode materials and electrolytes with the proper catalytic effects is summarized. The current progress of S cathodes and metal anodes in different types of M–S batteries are discussed and future development directions are described. The objective is to provide a comprehensive review on the current state‐of‐the‐art S cathodes and metal anodes in M–S batteries and research guidance for future development of this important class of batteries.
Unraveling the Mechanism of the Persistent Photoconductivity in InSe and its Doped Counterparts
Authors: Liao Liping , Kovalska Evgeniya , Luxa Jan , Dekanovsky Lukáš , Mazanek Vlastimil , Valdman Lukáš , Wu Bing , Huber Štěpán , Mikulics Martin , Sofer Zdenek 
Published: July 2022

AbstractDopant levels in layered compound InSe have considerable potential in optoelectronic devices. Dopant‐induced trap states are essential in determining the optoelectrical properties of semiconductors. However, detailed studies of the persistent photoconductivity (PPC) and related mechanism in doped InSe are still not available. Here, the dependence of excitation energy on the shallow donor level caused by the dopants (Ge, Sn) in InSe is systematically investigated. Notably, prolonged decay time originates from extrinsic Ge, Sn dopants and these doping‐assisted states improve the optoelectrical performance of pristine InSe. Those photogenerated carriers are trapped in the Ge, Sn shallow impurities states, which are long‐lived enough to be extracted into Au contacts before annihilation. This renders Ge‐, Sn‐doped InSe photoconductive gain and maximized photocurrent. Sn‐doped InSe single crystal device can achieve a maximum responsivity of around 1.7 × 106 A W−1 under red light and detectivity of 6.18 × 1013 Jones. In addition, Hall measurements identify the carrier concentration and the Hall mobility of pristine InSe is significantly changed by Ge and Sn dopants. It is demonstrated that doping Ge, Sn atoms is responsible for the obvious photoconductivity and beneficial for the high‐performance photodetector, offering intriguing opportunities for novel holographic memory applications.
Strategies to Control the Relaxation Kinetics of Ag‐Based Diffusive Memristors and Implications for Device Operation
Authors: Chekol Solomon Amsalu , Menzel Stephan , Waser Rainer , Hoffmann‐Eifert Susanne 
Published: July 2022

AbstractDiffusive memristors based on volatile electrochemical metallization (v‐ECM) devices are of broad interest for applications in emerging memory technologies and neuromorphic computing areas due to their interesting features such as thresholding, self‐relaxation, and energy‐efficient switching behaviors. Recently, the nonlinear threshold kinetics and the correlation of filament formation and growth with its relaxation behavior are uncovered from a physical perspective. However, the complexity of the diffusive memristors’ behavior might still hamper a straight transfer into emerging computing applications. Facing this challenge means going beyond the single device level and understanding the impact of other circuitry elements for further optimization of device operation. In this work, the effect of a series resistor on the switching dynamics of Ag/HfO2/Pt diffusive memristor devices by deploying various programming schemes with different resistances is investigated. Furthermore, all results and their implications on devices’ operation are compressively discussed. These findings help to further advance the optimization of the operating condition of diffusive memristors.
Rationally designed monoamine oxidase A‐activatable AIE molecular photosensitizer for the specific imaging and cellular therapy of tumors
Authors: Hu Yingcai , Yin Sheng‐Yan , Liu Wei , Li Zuhao , Chen Yun , Li Jishan 
Published: July 2022

AbstractDue to both the requirements of repeated complex organic synthesis and tedious biochemical verification experiments for the screening of new photosensitizers, the development of a satisfactory photosensitizer with excellent photosensitivity and highly specific response ability is still a great challenge for the accurate imaging localization and the precise photodynamic therapy (PDT) of tumors. Herein, under the help of theoretical calculations, a high‐efficient target‐activatable aggregation‐induced emission (AIE) molecular photosensitizer, TPE‐TThPy, is rationally designed and synthesized by the conjugation of tetraphenylethylene (TPE, which is used as the electron donor) and tetrahydropyridine (ThPy, which can be converted to methylpyridine salts as the electron acceptor) using thiophene (T) as the π‐bridge. This TPE‐TThPy molecule exhibits not only good cellular uptake and mitochondrial targeting ability but also ultra‐high monoamine oxidase A (MAO‐A) response specificity and excellent photosensitivity when oxidized under the action of MAO‐A. The specifically imaging ability and cellular PDT performance of the MOA‐A‐activatable AIE photosensitizer of TPE‐TThPy is demonstrated by using different cell lines and mouse tumor models. The successful development of this MOA‐A‐activatable AIE photosensitizer also provides insight for the development of single‐molecule PDT therapeutic drugs with excellent photosensitivity and highly specific targeting‐response ability.
Identifying phenotypic expansions for congenital diaphragmatic hernia plus (CDH+) using DECIPHER data
Authors: Hardcastle Amy , Berry Aliska M. , Campbell Ian M. , Zhao Xiaonan , Liu Pengfei , Gerard Amanda E. , Rosenfeld Jill A. , Sisoudiya Saumya D. , Hernandez‐Garcia Andres , Loddo Sara , Di Tommaso Silvia , Novelli Antonio , Dentici Maria L. , Capolino Rossella , Digilio Maria C. , Graziani Ludovico , Rustad Cecilie F. , Neas Katherine , Ferrero Giovanni B. , Brusco Alfredo , Di Gregorio Eleonora , Wellesley Diana , Beneteau Claire , Joubert Madeleine , Van Den Bogaert Kris , Boogaerts Anneleen , McMullan Dominic J. , Dean John , Giuffrida Maria G. , Bernardini Laura , Varghese Vinod , Shannon Nora L. , Harrison Rachel E. , Lam Wayne W. K. , McKee Shane , Turnpenny Peter D. , Cole Trevor , Morton Jenny , Eason Jacqueline , Jones Marilyn C. , Hall Rebecca , Wright Michael , Horridge Karen , Shaw Chad A. , Chung Wendy K. , Scott Daryl A. 
Published: July 2022

AbstractCongenital diaphragmatic hernia (CDH) can occur in isolation or in conjunction with other birth defects (CDH+). A molecular etiology can only be identified in a subset of CDH cases. This is due, in part, to an incomplete understanding of the genes that contribute to diaphragm development. Here, we used clinical and molecular data from 36 individuals with CDH+ who are cataloged in the DECIPHER database to identify genes that may play a role in diaphragm development and to discover new phenotypic expansions. Among this group, we identified individuals who carried putatively deleterious sequence or copy number variants affecting CREBBP, SMARCA4, UBA2, and USP9X. The role of these genes in diaphragm development was supported by their expression in the developing mouse diaphragm, their similarity to known CDH genes using data from a previously published and validated machine learning algorithm, and/or the presence of CDH in other individuals with their associated genetic disorders. Our results demonstrate how data from DECIPHER, and other public databases, can be used to identify new phenotypic expansions and suggest that CREBBP, SMARCA4, UBA2, and USP9X play a role in diaphragm development.
Discovery of the First Selective Nanomolar Inhibitors of ERAP2 by Kinetic Target‐Guided Synthesis
Authors: Camberlein Virgyl , Fléau Charlotte , Sierocki Pierre , Li Lenong , Gealageas Ronan , Bosc Damien , Guillaume Valentin , Warenghem Sandrine , Leroux Florence , Rosell Melissa , Cheng Keguang , Medve Laura , Prigent Mathilde , Decanter Myriam , Piveteau Catherine , Biela Alexandre , Eveque Maxime , Dumont Julie , Mpakali Anastasia , Giastas Petros , Herledan Adrien , Couturier Cyril , Haupenthal Jörg , Lesire Laetitia , Hirsch Anna K. H. , Deprez Benoit , Stratikos Efstratios , Bouvier Marlene , Deprez‐Poulain Rebecca 
Published: July 2022

AbstractEndoplasmic reticulum aminopeptidase 2 (ERAP2) is a key enzyme involved in the trimming of antigenic peptides presented by Major Histocompatibility Complex class I. It is a target of growing interest for the treatment of autoimmune diseases and in cancer immunotherapy. However, the discovery of potent and selective ERAP2 inhibitors is highly challenging. Herein, we have used kinetic target‐guided synthesis (KTGS) to identify such inhibitors. Co‐crystallization experiments revealed the binding mode of three different inhibitors with increasing potency and selectivity over related enzymes. Selected analogues engage ERAP2 in cells and inhibit antigen presentation in a cellular context. 4 d (BDM88951) displays favorable in vitro ADME properties and in vivo exposure. In summary, KTGS allowed the discovery of the first nanomolar and selective highly promising ERAP2 inhibitors that pave the way of the exploration of the biological roles of this enzyme and provide lead compounds for drug discovery efforts.
Structure of a Promiscuous Thioesterase Domain Responsible for Branching Acylation in Polyketide Biosynthesis
Authors: Fraley Amy E. , Dieterich Cora L. , Mabesoone Mathijs F. J. , Minas Hannah A. , Meoded Roy A , Hemmerling Franziska , Piel Jörn 
Published: July 2022

AbstractThioesterases (TEs) are fundamentally important enzymes present in all bacteria and eukaryotes, where they have conserved functions in fatty acid biosynthesis and secondary metabolism. This work provides the first structural insights into a functionally distinct group of TEs that perform diverse acylations in polyketide and peptide biosynthesis (TEBs). Structural analysis of the oocydin (OocS) TEB domain facilitated identification and engineering of the active site to modulate acyl‐group acceptance. In this way, we achieved higher reactivity using a structure‐based approach, building a foundation for biocatalytic development of TEB‐mediated O‐acylation, a modification known to improve the bioactivity of oocydin‐type polyketides. Lastly, the promiscuity of the OocS TEB motivated us to investigate, and ultimately provide evidence for, the production of longer chain branched oocydins in the native host Serratia plymuthica 4Rx13. This work frames the OocS TEB and homologs as invaluable synthetic biology tools for polyketide drug development.
An Optically Anisotropic Crystal with Large Birefringence Arising from Cooperative π Orbitals
Authors: Li Yanqiang , Zhang Xu , Zhou Yang , Huang Weiqi , Song Yipeng , Wang Han , Li Minjuan , Hong Maochun , Luo Junhua , Zhao Sangen 
Published: July 2022

AbstractBirefringent materials are highly demanded for high‐performance polarized optics. As compared with artificial anisotropic metamaterials, anisotropic crystals have advantages of low optical losses and easy processing, but their birefringence is still limited. Herein, based on first‐principles studies, we identified a new type of functional anion units, (HxC6N9)(3−x)− (x=0, 1, 2), and then successfully synthesized a new anisotropic crystal, namely, CsH2C6N9⋅H2O (I), whose crystal structure consists of (H2C6N9)− anions. Remarkably, I is ultraviolet transparent and exhibits very large birefringence of about 0.55@550 nm, which is much larger than those of commercial birefringent crystals. These results make I a candidate for highly efficient manipulation of optics and light in optical modulation devices. Theoretical calculations reveal that large birefringence mainly arises from the cooperative π orbitals in (H2C6N9)− anions. This work provides a new insight on the underlying structure–property relationships of anisotropic crystals.
Chirality Induction on a Coordination Capsule for Circularly Polarized Luminescence
Authors: Harada Kentaro , Sekiya Ryo , Haino Takeharu 
Published: July 2022

AbstractBy utilizing a confined space inside a coordination capsule consisting of achiral components, we achieve trimeric structures composed of acetic acid and 2,3‐disubstituted tartaric acid derivatives. Steric and electronic interactions between the substituents on the tartaric acid and 2,2′‐bipyridyl arms of the capsule permit the transfer of the chirality of the tartaric acid to the capsule, resulting in diastereoenrichment of the host‐guest complexes of up to 92 % de. The chiral templates can be washed away with diethyl ether, leaving an enantiomerically enriched capsule. The resulting capsule biases the dynamic axial chirality of a 4,4′‐diacetoxybiphenyl guest carrying benzothiadiazole units, demonstrating guest‐to‐capsule and capsule‐to‐guest chirality transfer. The induced chirality on the bound guest enables it to emit circularly polarized luminescence in the NIR region, demonstrating the application of induced chirality for confined spaces for the generation of chiroptical properties.
Mechanoresponsive Carbamoyloximes for the Activation of Secondary Amines in Polymers
Authors: Campagna Davide , Göstl Robert 
Published: July 2022

AbstractMechanophores are molecular moieties that are incorporated into polymers and respond to force with constitutional, configurational, or conformational bond rearrangements to enable functionality. Up to today, several chemically latent motifs have been activated by polymer mechanochemical methods, but the generation of secondary amines remains elusive. Here we report carbamoyloximes as mechanochemical protecting groups for secondary amines. We show that carbamoyloximes undergo force‐induced homolytic bond scission at the N−O oxime bond in polymers thus producing the free amine, as the reaction proceeds via the carbamoyloxyl and aminyl radicals, analogously to its photochemical counterpart. Eventually, we apply the carbamoyloxime motif in a force‐activated organocatalytic Knoevenagel reaction. We believe that this protecting strategy can be universally applied for many other secondary and primary amines in polymer materials.
Significant enhancement on the mechanical and tribological performances of paper‐based friction materials by designing silicone@SiO2 core‐shell structure
Authors: Ma Shanshan , Tian Haochen , Fei Jie , Li Hejun 
Published: July 2022

AbstractUnder the heavy‐loading harsh condition, achieving prominent mechanical and tribological performances of paper‐based friction materials are an extreme demand for meeting their application in the braking of vehicles. In this study, modifying carbon fiber with epoxy groups and designing silicone@SiO2 core‐shell structure as efficient and feasible strategies, were employed to boost the mechanical and tribological properties of friction materials. The above core‐shell hybrid, acted as an effective interfacial linker, contributed to forming strong mechanical interlocks and increasing chemical cross‐linking density at the interphase. The tensile and interlaminar shear strength of silicone@SiO2‐modified sample were improved by 28.6% and 12.9%, respectively. Meanwhile, the toughness of silicone@SiO2‐modified sample showed a 102.82% increase. Moreover, compared with pristine sample, the dynamic friction coefficient of silicone@SiO2‐modified sample increased from 0.1020 to 0.1202, while the wear rate decreased from 0.617 × 10−8 cm3 J−1 to 0.432 × 10−8 cm3 J−1.
Synthesis and detailed characterization of sustainable starch‐based bioplastic
Authors: Chakraborty Ishita , N. Pooja , Banik Soumyabrata , Govindaraju Indira , Das Kuheli , Mal Sib Sankar , Zhuo Guan‐Yu , Rather Muzamil Ahmad , Mandal Manabendra , Neog Ashamoni , Biswas Rajib , Managuli Vishwanath , Datta Amitabha , Mahato Krishna Kishore , Mazumder Nirmal 
Published: July 2022

AbstractThere is an urgent requirement of replacing the environmentally hazardous petroleum‐based plastics with sustainable and efficient starch‐based bioplastics. Development and detailed characterization of the biodegradable bioplastics from plant‐based polysaccharides such as starch is essential to reduce plastic pollution in the environment. In this research, bioplastics were developed from an equivalent blend of starch from two different sources namely rice and potato (1:1, w/w), crosslinked with different concentrations of citric acid (CA). The effect of CA cross‐linking of starch‐based bioplastics was investigated on its physicochemical and functional properties. The X‐ray diffraction (XRD) spectra revealed that the synthesized bioplastics were amorphous in nature with broad diffraction peaks. Further, the peak at 1716 cm−1 in Fourier transform infrared (FTIR) spectra indicated the formation of ester bonds in CA cross‐linked bioplastics. Atomic force microscopy (AFM) revealed the surface roughness of the bioplastics decreased with increasing concentration of CA. Mechanical and thermal properties of bioplastics were characterized using universal testing machine, differential scanning calorimetry (DSC), and thermogravimetric analysis (TGA), respectively.
Ligamentum arteriosum and its telocytes: An ultrastructure description
Authors: Quaye Mensah Benedicta 
Published: July 2022

AbstractResults from my study have shown in 2022 the existence of telocytes (TCs) in mice ligamentum arteriosum (LA). Telocytes (TCs) are unique interstitial or stromal cells of mesodermal origin, defined by long cellular extensions called telopodes (Tps) which form a network, connecting them to surrounding cells. These Tps have dilated portions named podoms (usually containing mitochondria, endoplasmic reticulum and caveolae) and very thin segments (below resolving power of light microscopy), called podomers. Generally, transmission electron microscope revealed the existence of Tps with various conformations: (a) long, flattened irregular veils (ribbon‐like segments) with knobs, corresponding to podoms, and (b) tubular structures (podomers) with uneven caliber because of irregular dilations (knobs)—the podoms. Also shown were numerous extracellular vesicles and exosomes released by the TCs which sometimes made direct contact with telopodes. Telopodes were observed communicating with each other through adherens junctions. Telopodes sandwiched between myocytes or in close proximity (0.01 μm) from nerve terminals were also observed. These data might be useful for understanding the role(s) of TCs in intercellular signaling and communication, neuromodulation as well as comprehension of pathologies like structural remodeling within the LA.
New antiproliferative agents derived from tricyclic 3,4‐dihydrobenzo[4,5]imidazo[1,2‐a][1,3,5]triazine scaffold: Synthesis and pharmacological effects
Authors: Robello Marco , Salerno Silvia , Barresi Elisabetta , Orlandi Paola , Vaglini Francesca , Banchi Marta , Simorini Francesca , Baglini Emma , Poggetti Valeria , Taliani Sabrina , Da Settimo Federico , Bocci Guido 
Published: July 2022

AbstractA series of novel 3,4‐dihydrobenzo[4,5]imidazo[1,2‐a][1,3,5]triazine (BIT) derivatives were designed and synthesized. In vitro antiproliferative activity was detected toward two human colorectal adenocarcinoma cell lines (CaCo‐2 and HT‐29) and one human dermal microvascular endothelial cell line (HMVEC‐d). The most active compounds, namely 2‐4 and 8, were further investigated to clarify the mechanism behind their biological activity. Through immunofluorescence assay, we identified the target of these molecules to be the microtubule cytoskeleton with subsequent formation of dense microtubule accumulation, particularly at the periphery of the cancer cells, as observed in paclitaxel‐treated cells. Overall, these results highlight BIT derivatives as robust and feasible candidates deserving to be further developed in the search for novel potent antiproliferative microtubule‐targeting agents.
Short‐ and medium‐term outcomes for patent ductus arteriosus stenting in neonates ≤2.5 kg with duct‐dependent pulmonary circulation
Authors: Nasef Mohamed Al , Shahbah Doaa A. , Batlivala Sarosh P. , Darwich Reem , Qureshi Athar M. , Breatnach Colm R. , Linnane Niall , Walsh Kevin P. , Oslizlok Paul , McCrossan Brian , Momenah Tarek , Alshahri Atif , Abdulhamed Jassim , Arafat Amr , Tamimi Omar Al , Diraneyya Obayda M. , Goldstein Bryan H. , Kenny Damien 
Published: July 2022

AbstractBackgroundMorbidity with surgical systemic‐to‐pulmonary artery shunting (SPS) in infants ≤2.5 kg has remained high. Patent ductus arteriosus (PDA) stenting may be a valid alternative. The objective of this study is to evaluate outcomes following PDA stenting in patients ≤2.5 kg from four large tertiary centers.MethodsRetrospective review of all neonates ≤2.5 kg with duct‐dependent pulmonary circulation who underwent PDA stenting. Procedural details, pulmonary arterial growth, reinterventions, surgery type, and outcomes were assessed.ResultsPDA stents were implanted in 37 of 38 patients attempted (18 female) at a median procedural weight of 2.2 kg (interquartile range [IQR], 2–2.4 kg). Seven patients (18%) had a genetic abnormality and 16 (42%) had associated comorbidities. The median intensive care unit stay was 4 days (IQR, 2–6.75 days), and the median hospital stay was 20 days (IQR, 16–57.25). One patient required a rescue shunt procedure, with three others requiring early SPS (<30 days postprocedure). Twenty patients (54%) required reintervention with either balloon angioplasty, restenting, or both. At 6‐month follow‐up, right pulmonary artery growth (median z‐score −1.16 to 0.01, p = 0.05) was greater than the left pulmonary artery (median z‐score −0.9 to −0.64, p = 0.35). Serious adverse effects (SAEs) were seen in 18% (N = 7) of our cohort. One patient developed an SAE during planned reintervention There were no intraprocedural deaths, with one early procedure‐related mortality, and three interstage mortalities not directly related to PDA stenting.ConclusionsPDA stenting in infants ≤2.5 kg is feasible and effective, promoting pulmonary artery growth. Reintervention rates are relatively high, though many are planned to allow for optimal growth before a definitive operation.