bluuebunny/crossref_metadata_2025_split huggingface dataset:
Superatom‐in‐Superatom [RhH@Ag24(SPhMe2)18]2− Nanocluster
Authors: Yi Hanseok , Han Sang Myeong , Song Suhwan , Kim Minseok , Sim Eunji , Lee Dongil 
Published: July 2021

AbstractHeterometal doping is a powerful method for tuning the physicochemical properties of metal nanoclusters. While the heterometals doped into such nanoclusters predominantly include transition metals with closed d‐shells, the doping of open d‐shell metals remains largely unexplored. Herein, we report the first synthesis of a [RhHAg24(SPhMe2)18]2− nanocluster, in which a Rh atom with open d‐shells ([Kr]4d85s1) is incorporated into the Ag24 framework by forming a RhH superatom with closed d‐shells ([Kr]4d10). Combined experimental and theoretical investigations showed that the Ag24 framework was co‐doped with Rh and hydride and that the RhH dopant was a superatomic construct of a Pd atom. Additional studies demonstrated that the [RhHAg24(SPhMe2)18]2− nanocluster was isoelectronic to the [PdAg24(SPhMe2)18]2− nanocluster with the superatomic 8‐electron configuration (1S21P6). This study demonstrated for the first time that a superatom could be incorporated into a cluster superatom to generate a stable superatom‐in‐superatom nanocluster.
A Microporous Hydrogen‐Bonded Organic Framework for the Efficient Capture and Purification of Propylene
Authors: Gao Junkuo , Cai Youlie , Qian Xuefeng , Liu Puxu , Wu Hui , Zhou Wei , Liu De‐Xuan , Li Libo , Lin Rui‐Biao , Chen Banglin 
Published: July 2021

AbstractAdsorptive separation of propylene/propane (C3H6/C3H8) mixture is desired for its potential energy saving on replacing currently deployed and energy‐intensive cryogenic distillation. Realizing efficient C3H6/C3H8separation in the emerging hydrogen‐bonded organic frameworks (HOFs) is very challenging owing to the lack of functional sites for preferential gas binding. By virtue of crystal engineering, we herein report a functionalized HOF (HOF‐16) with free ‐COOH sites for the efficient separation of C3H6/C3H8mixtures. Under ambient conditions,HOF‐16shows a significant C3H6/C3H8uptake difference (by 76 %) and selectivity (5.4) in contrast to other carboxylic acid‐based HOFs. Modeling studies indicate that free ‐COOH groups together with the suitable pore confinement facilitate the recognition and high‐density packing of gas molecules. The separation performance ofHOF‐16was validated by breakthrough experiments.HOF‐16is stable towards strong acidity and water.
Dopant‐Free Hole Transport Materials Afford Efficient and Stable Inorganic Perovskite Solar Cells and Modules
Authors: Liu Cheng , Igci Cansu , Yang Yi , Syzgantseva Olga A. , Syzgantseva Maria A. , Rakstys Kasparas , Kanda Hiroyuki , Shibayama Naoyuki , Ding Bin , Zhang Xianfu , Jankauskas Vygintas , Ding Yong , Dai Songyuan , Dyson Paul J. , Nazeeruddin Mohammad Khaja 
Published: July 2021

AbstractThe emerging CsPbI3 perovskites are highly efficient and thermally stable materials for wide‐band gap perovskite solar cells (PSCs), but the doped hole transport materials (HTMs) accelerate the undesirable phase transition of CsPbI3 in ambient. Herein, a dopant‐free D‐π‐A type HTM named CI‐TTIN‐2F has been developed which overcomes this problem. The suitable optoelectronic properties and energy‐level alignment endow CI‐TTIN‐2F with excellent charge collection properties. Moreover, CI‐TTIN‐2F provides multisite defect‐healing effects on the defective sites of CsPbI3 surface. Inorganic CsPbI3 PSCs with CI‐TTIN‐2F HTM feature high efficiencies up to 15.9 %, along with 86 % efficiency retention after 1000 h under ambient conditions. Inorganic perovskite solar modules were also fabricated that exhibiting an efficiency of 11.0 % with a record area of 27 cm2. This work confirms that using efficient dopant‐free HTMs is an attractive strategy to stabilize inorganic PSCs for their future scale‐up.
Kationische Carben‐Analoga: Donorfreie Phosphenium‐ und Arsenium‐Ionen
Authors: Olaru Marian , Mebs Stefan , Beckmann Jens 
Published: July 2021

AbstractChemiker waren schon immer begeistert von Carbenen und ihren Homologen, von ihrer faszinierenden Reaktivität und ihrem ambiphilen Charakter, der aus der besonderen elektronischen Struktur herrührt. Phosphenium‐ und Arsenium‐Ionen sind extrem reaktive kationische Spezies, deren Stabilisierung in kondensierter Phase bislang nur dadurch erreicht werden könnte, indem die positive Ladung durch elektromere Konjugation über mindestens einen elektronenreichen Substituenten (häufig eine Amidogruppe) delokalisiert wurde. Obwohl sie in der Gasphase beobachtet wurden, entzogen sich dikoordinierte Phosphenium‐ und Arsenium‐Ionen ohne stabilisierende Liganden für viele Jahrzehnte ihrer Isolierung. Hier zeigen wir, dass durch die geeignete Wahl aromatischer Substituenten dikoordinierte, donorfreie, Lewis supersaure Phosphenium‐ und Arsenium‐Ionen kinetisch stabilisiert werden können. Diese zeichnen sich durch einen elektronischen Singulett‐Grundzustand aus und weisen ein nicht‐besetztes p‐Orbital sowie ein freies Elektronenpaar mit dominierendem s‐Charakter auf.
Chirality‐Dependent Second‐Order Nonlinear Optical Effect in 1D Organic–Inorganic Hybrid Perovskite Bulk Single Crystal
Authors: Fu Dongying , Xin Jianli , He Yueyue , Wu Shichao , Zhang Xinyuan , Zhang Xian‐Ming , Luo Junhua 
Published: July 2021

AbstractThe introduction of chirality into organic–inorganic hybrid perovskites (OIHPs) is expected to achieve excellent photoelectric and nonlinear materials related to circular dichroism. Owing to the existence of asymmetric center and intrinsic chirality in the chiral OIHPs, the different efficiencies of second harmonic generation (SHG) signal occurs when the circularly polarized light (CPL) with different phases passes through the chiral crystal, which is defined as second harmonic generation circular dichroism (SHG‐CD). Here, the SHG‐CD effect is developed in bulk single crystals of chiral one‐dimensional (1D) [(R/S)‐3‐aminopiperidine]PbI4. It is the first time that CPL is distinguished using chirality‐dependent SHG‐CD effect in OIHPs bulk single crystals. Such SHG‐CD technology extends the detection range to near infrared region (NIR). In this way, the anisotropy factor (gSHG‐CD) through SHG‐CD signal is as high as 0.21.
Effects of bortezomib on mouse preimplantation embryo development in vitro
Authors: Coban Cennet Sinem , Mutluay Duygu 
Published: July 2021

AbstractBackgroundBortezomib, a selective inhibitor of 26S proteasome, is commonly used as a chemotherapeutic agent against different types of human cancer cells. While cancer during pregnancy is a rare condition, the trends in becoming pregnant at an advanced age increase the risk of cancer associated with pregnancy. Cancers need to be treated carefully without harming the fetus during pregnancy for the patients who desire to continue their pregnancy. The aim of this study is to demonstrate the potential side effects of bortezomib as this drug has so far not been investigated during preimplantation embryo development.Materials and methodsTwo cell stage embryos were flushed from mated female CD1 mice and were cultured. Two‐cell, eight‐cell, and morula stage embryos were exposed to different concentrations of bortezomib in vitro. Morphologic alterations of the embryos were evaluated and the data were statistically analyzed.ResultsOur study showed that bortezomib exposure caused a statistically significant decrease in embryo survival and developmental competence and potential rate. We detected those early stages of embryos are more susceptible to bortezomib exposure than later stages.ConclusionWe indicated that bortezomib adversely affects preimplantation embryo development in a dose, time, and developmental stage dependent manner. Moreover, bortezomib treatment inhibits preimplantation embryo development and induces cytoplasmic fragmentation and cell‐cycle arrest on embryos.
Equality in matters of the heart?
Authors: Balan Prakash , Eng Marvin H. 
Published: July 2021

Key Points
Gender‐based differences in TAVR outcomes remains significant.
Gender‐based differences in TAVR outcomes persist despite technological advancements reducing catheter profiles and inclusion of lower surgical risk patients.
Further study aimed at controlling for differences in anatomical dimensions may improve our understanding of the gender gap in TAVR.
Adequate preparation of complex left main lesions prior to stenting appears to level the playing field
Authors: Grines Cindy L. , Voeltz Michele 
Published: July 2021

Key Points
There is marked variability in whether or not left main lesions are treated in advance of stenting, and the choice of device for lesion preparation.
There is a gradient in patient lesion complexity that seems to drive choice of device, with more complex lesions treated with atherectomy, followed by cutting balloon, then balloon angioplasty and direct stenting.
Long‐term clinical outcomes were independent of left main complexity, suggesting that adequate lesion preparation along with intravascular imaging may overcome these risks.
NIR‐II Fluorescent Brightness Promoted by “Ring Fusion” for the Detection of Intestinal Inflammation
Authors: Li Yaxi , Zha Menglei , Yang Guang , Wang Shuxian , Ni Jen‐Shyang , Li Kai 
Published: July 2021

AbstractFluorophores with emission in the second near‐infrared window (NIR‐II) have displayed salient advantages for biomedical applications. However, the common strategy of reducing the energy bandgap of fluorophores so as to achieve red‐shifted wavelengths always leads to compromised fluorescent brightness. Herein, we propose a molecular design concept of “ring‐fusion” to modify the acceptor of AIEgen that can extend the luminous wavelength from NIR‐I to NIR‐II. The fused‐acceptor‐containing fluorophore yielded, TTQP, has an enhanced absorption coefficient with a higher brightness in nanoparticle formation compared to its NIR‐I emissive counterpart (TTQ‐DP) with a non‐fused acceptor. Theoretical calculation further confirms that the ring fusion can efficiently promote the rigidity and planarity of the electron‐deficient core, leading to a lower reorganization energy and nonradiative decay. The TTQP NPs yielded thus allow sensitive NIR‐II fluorescence imaging of vasculature and intestinal inflammation in mice models. Therefore, we anticipate that our work will provide a promising molecular‐engineering strategy to enrich the library and broaden the application scope of NIR‐II fluorophores.
Keypose synthesis from 3D motion capture data by using evolutionary clustering
Authors: Günen Mehmet Akif , Beşdok Pınar Çivicioğlu , Beşdok Erkan 
Published: July 2021

SummaryMotion Capture datasets are captured as high‐frequency discrete samples using photogrammetric computer vision or various industrial geodetic measurement methods over the relevant model. Because Motion Capture data are inherently large‐datasets, expressing Motion Capture data without employing a motion data abstraction approach such as keypose is challenging. Keypose synthesis is a serious problem in many applications. Unfortunately, the local statistical features of Motion Capture data over time periods vary often, making it difficult to determine a key point summing the motion activation involved. Conventional clustering methods, such as Fuzzy C‐Means (FCM), that are sensitive to initial conditions, can be fitted to a local solution rather than producing a highly reliable keypose. Data clustering can be performed using evolutionary search methods without being limited to relatively local solutions. In this paper, the Motion Capture data were clustered using evolutionary search algorithms, and related keyposes were synthesized using the “minimum‐distance to cluster‐centers” principle. In Experiments section of this paper, motion data containing sportive movements were clustered by using evolutionary algorithms (i.e., Particle Swarm Optimization, Artificial Bee Colony, and Differential Search Algorithm) and classical clustering algorithms (i.e., Self‐Organizing Neural Network, FCM) to obtain related keyposes. The computed statistics exposed that evolutionary methods were more successful in obtaining keypose than classical methods.
Infrared Irradiation‐Assisted Solvent‐Free Pd‐Catalyzed (Hetero)aryl‐aryl Coupling via C−H Bond Activation
Authors: Albano Gianluigi , Decandia Gianfranco , Capozzi Maria Annunziata M. , Zappimbulso Nicola , Punzi Angela , Farinola Gianluca M. 
Published: July 2021

AbstractThe increasing attention towards environmentally friendly synthetic protocols has boosted studies directed to the development of green and sustainable methods for direct C−H bond arylation of (hetero)arenes. In this context, here the infrared (IR) irradiation‐assisted solvent‐free Pd‐catalyzed direct C−H bond arylation of (hetero)arenes was achieved. Several heteroaryl‐aryl coupling reactions were described, also involving heterocycles commonly used as building blocks for the synthesis of organic semiconductors. The reaction tolerated many functional groups on the aromatic nuclei. The IR‐irradiation as the energy source compared favorably with thermal heating and, in combination with solvent‐free conditions, provided an important contribution to the development of protocols fitting with the principles of green chemistry.
Are antibodies to fine specificities of citrullinated peptides/proteins useful for stratification of rheumatoid arthritis patients?
Authors: Nogueira Leonor , Parra Emilie , Larrieu Margaux , Verrouil Evelyne , Cornillet Martin 
Published: July 2021

AbstractBackgroundIn rheumatoid arthritis (RA), antibodies to citrullinated protein (ACPA) are believed to be heterogeneous and patient stratification by antibody profiling raised clinical interest for patient management. However, heterogeneity might be partially artificial because of the use of heterogeneous methods for ACPA detection. In recent work instead, we found that ACPA were mainly directed towards a single fibrin‐derived peptide, β60‐74BiotNt, but a comparative analysis with the presence of other ACPA specificities is still lacking.ObjectivesTo present an overview of RA patients' stratification based on the detection of the main ACPA fine specificities with the same method as compared to that of anti‐β60‐74BiotNt antibodies.MethodsOver 4500 measurements were performed with more than 22 standardised ELISAs, sera from 180 RA patients and 200 to 436 non‐RA rheumatic disease controls.ResultsFour to 81% of RA patients had ACPA towards various targets, confirming the heterogeneity of ACPA specificities. However, the subgroups of patients overlapped up to 97% with ACPA levels of correlation coefficients up to 0.8, showing redundancy of some targets. Multiplexing decreased diagnostic specificity from 95% to 64%. Instead, anti‐β60‐74BiotNt detection identified almost all ACPA‐positive patients.ConclusionsAntibodies to citrullinated protein multiplexing shows some degree of redundancy and is not suitable for diagnostic purposes. ACPA fine specificities might be less heterogeneous than perceived by sera testing on multiple peptides. Patient stratification largely depends on detection methods and requires standardisation.
Use of endoscopic ultrasound‐guided fine needle aspiration of the pancreas to diagnose a case of primary linitis plastica of the colon with retroperitoneal dissemination
Authors: Shitani Masahiro , Ogino Jiro , Akahonai Masakazu , Isosaka Mai , Ota Shigenori , Tayama Yoshiko , Ueki Tomomi , Tsuruma Tetsuhiro , Adachi Takeya , Hirata Koichi , Nakase Hiroshi 
Published: July 2021

ABSTRACTA 54‐year‐old man had previously undergone curative sigmoidectomy for poorly differentiated adenocarcinoma with a signet‐ring cell component of the sigmoid colon, which was characterized morphologically by stenosis and inelasticity of the colon (linitis plastica). Six weeks after surgery, the patient developed stenosis of the right ureter. Disseminated sigmoid cancer was suspected, and chemotherapy was started. Nine months after initiation of chemotherapy, obstructive jaundice was observed which was due to stenosis of the distal bile duct (BD). Although computed tomography showed no evident metastatic lesion that could cause the stenosis, swelling of the entire pancreas was evident compared to that of 11 months earlier. Endoscopic ultrasound (EUS) also did not detect any focal masses in the head of the pancreas, although there was a diffuse hypoechoic change in the entire pancreas. Histopathology of the stenotic BD and biopsy specimen from the head of the pancreas showed no malignant cells. Two months after the initial endoscopic bile duct drainage, the patient was admitted again for epigastric pain. A second EUS fine needle aspiration (EUS‐FNA) of the head of the pancreas was performed and showed poorly differentiated carcinoma with some signet‐ring cells. This finding provided histological confirmation of a disseminated pancreatic lesion of the previously resected linitis plastica of the sigmoid colon. This is a rare case of disseminated pancreatic lesion from primary linitis plastica of the colon diagnosed by EUS‐FNA.
One size does not fit all: Tuning eDNA protocols for high‐ and low‐turbidity water sampling
Authors: Kumar Girish , Farrell Emily , Reaume Ashley M. , Eble Jeff A. , Gaither Michelle R. 
Published: July 2021

AbstractFindings from eDNA metabarcoding are strongly influenced by experimental approach, yet the effect of pre‐PCR sample processing on taxon detection and estimates of biodiversity across different water types is still poorly resolved. To fill this data gap, we investigated the impact of sampling effort, extraction method, and filter pore size on DNA yield, PCR inhibition, and 16S rDNA metabarcoding results for fishes in water samples collected from inshore turbid‐ and offshore clear‐water environments. The turbid‐water samples had high concentrations of suspended organic and/or inorganic material and yielded ~3.2× more DNA and exhibited high levels of PCR inhibition compared with the low‐turbidity, clear‐water samples. Importantly, there were no striking differences in the results of our metabarcoding experiments based on extraction method or filter pore size. While a small number of unique species of relatively low read count were detected in all turbid‐water treatments, most species were consistently detected across samples. Results for the clear‐water samples were strikingly different, with low DNA yield, high levels of variation across replicates, and a high number of non‐overlapping species across treatments. These findings indicate a patchy distribution of eDNA in offshore environments, which means higher volumes of water (≥ 2 L per replicate) must be filtered in habitats where target DNA is likely to be sparse. In semi‐closed systems such as estuaries, higher concentrations of target DNA are expected, and we found that either a 1.0 or 3.0 µm filter pore size was sufficient to capture standing diversity, while decreasing the risk of clogging. For economical DNA extraction and inhibitor removal, we recommend a combination of Omega Bio‐tek E.Z.N.A Tissue DNA kit followed by a PCR inhibitor removal step using the Zymo Kit. Finally, we emphasize that pilot studies should be undertaken whenever sampling in a new environment to identify which protocol is most appropriate.
Early age at menarche is associated with post‐menarche back pain: An analysis of the Raine Study
Authors: Innes Stanley , Jacques Angela , Scott Karin , Walker Bruce 
Published: July 2021

AbstractIntroductionBack pain (BP) experienced by females during adolescent years appears to predispose them to an increased likelihood of its presence in adulthood. Understanding this phenomenon by identifying risk factors of those at risk potentially fosters preventative strategies and effective treatments.ObjectivesTo investigate for associations between post‐menarche BP and low back pain (LBP) and age at menarche (AAM) in Australian adolescents using the Western Australian pregnancy cohort (The Raine Study).MethodsThis study used data from a longitudinal cohort study. BP data were collected retrospectively using a questionnaire. Menarche data was split into three established age classifications early (<12‐years), normal (≥12 to >14‐years) and late (≥14‐years). Logistic regression models examined the effect of AAM on BP.Results666 female participants provided valid menarche data with 183 (27.5%) early AAM, 429 (64.4%) normal AAM and 54 (8.1%) with late AAM. The mean AAM was 12.59 years. BP was disclosed by 27.5% in the 14‐year follow‐up and 31.5% in the 17‐year follow‐up. Participants who had early AAM had 79% higher odds of experiencing BP compared to participants who had normal AAM, after adjusting for confounders at the 14‐year follow‐up (adjOR 1.79, 95% CI 1.18–2.64).ConclusionThere is evidence of an association, in this cohort, of early AAM with post‐menarche BP. This result identifies an area for future exploration, including understanding this mechanism which may lead to the development of effective intervention measures.SignificanceAge at menarche is related to a range of health issues. This study sought to investigate if it was a risk factor for spinal pain. We used an existing Australian data base to explore this possibility and found an association with early age onset and post‐menarche back pain. This result identifies an area for future exploration, including understanding this mechanism which may lead to the development of effective intervention measures.
A novel streamlined particle‐unscented Kalman filtering method for the available energy prediction of lithium‐ion batteries considering the time‐varying temperature‐current influence
Authors: Zhang Liang , Wang Shunli , Zou Chuanyun , Fan Yongcun , Jin Siyu , Fernandez Carlos 
Published: July 2021

SummaryEffective energy prediction is of great importance for the operational status monitoring of high‐power lithium‐ion battery packs. It should be embedded in the battery system performance evaluation, energy management, and safety protection. A new Streamlined Particle‐Unscented Kalman Filtering method is proposed to predict the available energy of lithium‐ion batteries, in which an Adaptive‐Dual Unscented Transform treatment is conducted to realize the precise mathematical expression of its working conditions. For the accurate mathematical description purpose, an improved Synthetic‐Electrical Equivalent Circuit modeling method is introduced into the internal effect equivalent process considering the influence of time‐varying temperature and current conditions. As can be known from the experimental results, the proposed prediction method has a maximum estimation error of 2.27% and an average error of 0.80%, for the complex varying‐current Beijing Bus Dynamic Stress Test. Under the Urban Dynamometer Driving Schedule working conditions, the available energy prediction has high accuracy with a maximum error of 1.83% and a voltage traction error of 3.28%. It provides vehicle‐mounted available energy prediction schemes for effective management and safety protection of high‐power lithium‐ion batteries.Highlights
A new Streamlined Particle‐Unscented Kalman Filtering method is proposed to predict the available energy of lithium‐ion batteries.
Improved Synthetic‐Electrical Equivalent Circuit modeling strategies are established to describe the nonlinear battery characteristics.
Adopted predictive correction is investigated by considering the time‐varying temperature and current influence.
For effective convergence, an adaptive windowing function factor is introduced into the correction process with a maximum estimation error of 2.27% and an average error of 0.80% for the complex varying‐current Beijing Bus Dynamic Stress Test working conditions.
The vehicle battery available energy prediction is realized with a maximum error of 1.83% and a maximum voltage traction error of 3.28% for the Urban Dynamometer Driving Schedule working conditions.