bluuebunny/crossref_metadata_2025_split huggingface dataset:
Selective Exoenzymatic Labeling of Lipooligosaccharides of Neisseria gonorrhoeae with α2,6‐Sialoside Analogues
Authors: de Jong Hanna , Moure Maria J. , Hartman Jet E. M. , Bosman Gerlof P. , Ong Jun Yang , Bardoel Bart W. , Boons Geert‐Jan , Wösten Marc M. S. M. , Wennekes Tom 
Published: July 2022

AbstractThe interactions between bacteria and their host often rely on recognition processes that involve host or bacterial glycans. Glycoengineering techniques make it possible to modify and study the glycans on the host's eukaryotic cells, but only a few are available for the study of bacterial glycans. Here, we have adapted selective exoenzymatic labeling (SEEL), a chemical reporter strategy, to label the lipooligosaccharides of the bacterial pathogen Neisseria gonorrhoeae, using the recombinant glycosyltransferase ST6Gal1, and three synthetic CMP‐sialic acid derivatives. We show that SEEL treatment does not affect cell viability and can introduce an α2,6‐linked sialic acid with a reporter group on the lipooligosaccharides by Western blot, flow cytometry and fluorescent microscopy. This new bacterial glycoengineering technique allows for the precise modification, here with α2,6‐sialoside derivatives, and direct detection of specific surface glycans on live bacteria, which will aid in further unravelling the precise biological functions of bacterial glycans.
Real‐life experience of venetoclax and hypomethylating agents in acute myeloid leukemia patients not candidates for intensive chemotherapy or who are refractory/relapsed: A single‐centre experience
Authors: Roldán Pérez Alicia , Vázquez Paganini Juan Andrés , Penalva Moreno M. José , Giménez Mesa Eugenio , Vilches Moreno Alba Sara , Nuñez‐Torrón Stock Claudia , Herráez García Regina 
Published: July 2022

AbstractWe report our experience with venetoclax/hypomethylating agents (Ven/HMA) in 8 AML patients not candidates for intensive CT or refractory/relapsed with limited treatment options. The response rate was 50%. Venetoclax was well‐tolerated in 62.5% of the patients. Ven/HMA provides a benefit particularly when used in patients without prior HMA exposure.
A case of unresectable combined hepatocellular and cholangiocarcinoma treated with atezolizumab plus bevacizumab
Authors: Saito Naoto , Hatanaka Takeshi , Nakano Sachi , Hazama Yoichi , Yoshida Sachiko , Hachisu Yoko , Tanaka Yoshiki , Yoshinaga Teruo , Kashiwabara Kenji , Kubo Norio , Hosouchi Yasuo , Tojima Hiroki , Kakizaki Satoru , Uraoka Toshio 
Published: July 2022

AbstractAn 81‐year‐old man initially underwent right hepatic lobectomy for liver cancer and was pathologically diagnosed with combined hepatocellular and cholangiocarcinoma (CHC). At 13 months after resection, multiple lymph node metastases were observed. We started atezolizumab plus bevacizumab (Atez/Bev), achieving a 7.5‐month progression‐free survival. Atez/Bev might exhibit efficacy for CHC patients.
Enhanced Optical Properties of Azaborole Helicenes by Lateral and Helical Extension
Authors: Full Felix , Wölflick Quentin , Radacki Krzysztof , Braunschweig Holger , Nowak‐Król Agnieszka 
Published: July 2022

AbstractThe synthesis and characterization of laterally extended azabora[5]‐, ‐[6]‐ and ‐[7]helicenes, assembled from N‐heteroaromatic and dibenzo[g,p]chrysene building blocks is described. Formally, the π‐conjugated systems of the pristine azaborole helicenes were enlarged with a phenanthrene unit leading to compounds with large Stokes shifts, significantly enhanced luminescence quantum yields (Φ) and dissymmetry factors (glum). The beneficial effect on optical properties was also observed for helical elongation. The combined contributions of lateral and helical extensions resulted in a compound showing green emission with Φ of 0.31 and |glum| of 2.2×10−3, highest within the series of π‐extended azaborahelicenes and superior to emission intensity and chiroptical response of its non‐extended congener. This study shows that helical and lateral extensions of π‐conjugated systems are viable strategies to improve features of azaborole helicenes. In addition, single crystal X‐ray analysis of configurationally stable [6]‐ and ‐[7]helicenes was used to provide insight into their packing arrangements.
Ki‐67 index assessment on FNA specimens of gastrointestinal stromal tumor: Correlation with mitotic rate and potential predictive value for risk stratification
Authors: Wang Xi , Abi‐Raad Rita , Tang Haiming , Cai Guoping 
Published: July 2022

BackgroundRisk assessment of gastrointestinal stromal tumor (GIST) is challenging on cytology specimens. This study aims to determine whether Ki‐67 index evaluated on fine‐needle aspiration (FNA) specimens can correlate with the mitotic rate of GIST in surgical specimens and provide further risk assessment.MethodsCases with cell blocks containing adequate tumor cells and surgical resections were included. Ki‐67 immunostain was retrospectively performed on cell block sections, and Ki‐67 index was calculated on the “hot spot” areas.ResultsThis study included 50 GIST cases from stomach (n = 45; 90%), duodenum (n = 4; 8%), and distal esophagus (n = 1; 2%). The tumor size ranged from 1.5 cm to 21 cm (mean, 5.4 cm). Based on the mitotic count, 37 GISTs (74%) had low mitotic rate (LMR) and 13 GISTs (26%) had high mitotic rate (HMR). The spindle cell, epithelioid, and mixed types accounted for 60%, 14%, and 26% of GIST, respectively. Ki‐67 index counted on cell block sections correlated well with mitotic count evaluated in surgical specimens (r = 0.8031). Mean Ki‐67 index was higher in HMR than LMR groups (3.5% vs. 1%, p < .001). The receiver operating characteristic curve using Ki‐67 index to predict mitotic rate was further analyzed, and area under the curve was 0.839. Using a cutoff of 2.5% yielded a sensitivity of 70% at 92% specificity.ConclusionsThis study demonstrates good correlations between Ki‐67 index and mitotic count or risk stratification, suggesting that Ki‐67 index evaluated on cytology specimens may offer a promising approach to preoperatively predict the mitotic rate and risk of GIST.
Automated generation of 0D and 1D reduced‐order models of patient‐specific blood flow
Authors: Pfaller Martin R. , Pham Jonathan , Verma Aekaansh , Pegolotti Luca , Wilson Nathan M. , Parker David W. , Yang Weiguang , Marsden Alison L. 
Published: July 2022

AbstractThree‐dimensional (3D) cardiovascular fluid dynamics simulations typically require hours to days of computing time on a high‐performance computing cluster. One‐dimensional (1D) and lumped‐parameter zero‐dimensional (0D) models show great promise for accurately predicting blood bulk flow and pressure waveforms with only a fraction of the cost. They can also accelerate uncertainty quantification, optimization, and design parameterization studies. Despite several prior studies generating 1D and 0D models and comparing them to 3D solutions, these were typically limited to either 1D or 0D and a singular category of vascular anatomies. This work proposes a fully automated and openly available framework to generate and simulate 1D and 0D models from 3D patient‐specific geometries, automatically detecting vessel junctions and stenosis segments. Our only input is the 3D geometry; we do not use any prior knowledge from 3D simulations. All computational tools presented in this work are implemented in the open‐source software platform SimVascular. We demonstrate the reduced‐order approximation quality against rigid‐wall 3D solutions in a comprehensive comparison with N = 72 publicly available models from various anatomies, vessel types, and disease conditions. Relative average approximation errors of flows and pressures typically ranged from 1% to 10% for both 1D and 0D models, measured at the outlets of terminal vessel branches. In general, 0D model errors were only slightly higher than 1D model errors despite requiring only a third of the 1D runtime. Automatically generated ROMs can significantly speed up model development and shift the computational load from high‐performance machines to personal computers.
CO2 Entropy Depletion‐induced 2D Amorphous Structure in Non‐van der Waals VO2
Authors: Yan Pengfei , Zhou Yannan , Zhang Bin , Xu Qun 
Published: July 2022

AbstractFew studies focus on the plastic deformations of inorganic semiconductors because they are usually brittle and do not deform easily. Here, a peculiar internal shear stress originated from the entropy deletion of CO2 in the tunnels of non‐van der Waals VO2 crystal, is employed to introduce hierarchical plastic deformations, including dislocations, point vacancies, twins, and amorphous bands. The strength of such stress field increases by more than three orders of magnitude compared to that of external experimental CO2 pressure. We further demonstrate that 2D amorphous structures can be obtained by the synergetic effect of hierarchical deformations in 3D crystal.
Manipulating White‐Light Generation in Adamantane‐Like Molecules via Functional Group Substitution
Authors: Gowrisankar Saravanan , Hosier Christopher A. , Schreiner Peter R. , Dehnen Stefanie 
Published: July 2022

AbstractCertain adamantane (Ad)‐like molecules, either clusters of the type [(R′T)4E6] with inorganic cores (R′=cyclic/aromatic organic substituent; T=Si, Ge, Sn; E=S, Se, Te) or adamantane derivatives [(R′C)4(CH2)6]=AdR′4, display extreme nonlinear optical properties, which can lead to white‐light emission when exposed to near infrared light. While previous studies have established some requirements for these compounds to generate white light, the ability to tailor this effect remains elusive. Here we evaluate the impact of a variety of inorganic and organic compounds with Ad‐like cores as well as various functional groups on white‐light generation (WLG). We show that polarization and electron density localization are influenced by the type of the functional group R in [(R‐PhSn)4S6] in particular, according to DFT computations. While these groups do not have a large impact on the maximum emission wavelengths, they do significantly affect the laser power threshold for the occurrence of WLG.
Decomposition of Deep Eutectic Solvent Aids Metals Extraction in Lithium‐Ion Batteries Recycling
Authors: Schiavi Pier Giorgio , Altimari Pietro , Sturabotti Elisa , Giacomo Marrani Andrea , Simonetti Giulia , Pagnanelli Francesca 
Published: July 2022

AbstractThe application of deep eutectic solvents (DESs) to dissolve metal oxides in lithium‐ion batteries (LIBs) recycling represents a green technological alternative to the mineral acids employed in hydrometallurgical recycling processes. However, DESs are much more expensive than mineral acids and must be reused to ensure economic feasibility of LIB recycling. To evaluate DES reusability, the role of the choline chloride‐ethylene glycol DES decomposition products on metal oxides dissolution was investigated. The temperatures generally applied to carry on this DES leaching induced the formation of decomposition products that ultimately improved the ability to dissolve LIB metal oxides. The characterization of DES decomposition products revealed that the improved metal dissolution was mainly determined by the formation of Cl3−, which was proposed to play a pivotal role in the oxidative dissolution of LIB metal oxides.
Circular RNA circ‐TNPO3 inhibits clear cell renal cell carcinoma metastasis by binding to IGF2BP2 and destabilizing SERPINH1 mRNA
Authors: Pan Xiaojuan , Huang Bo , Ma Qiang , Ren Junwu , Liu Yuying , Wang Cong , Zhang Dawei , Fu Jian , Ran Lingyu , Yu Ting , Li Haiping , Wang Xiaolin , Yang Feifei , Liang Ce , Zhang Yuying , Wang Shimin , Ren Jingjing , Li Wei , Wang Yongquan , Xiao Bin 
Published: July 2022

AbstractBackgroundClear cell renal cell carcinoma (ccRCC) is a common malignant tumour of the urinary tract. The major causes of poor prognosis are the lack of early diagnosis and metastasis. Accumulating research reveals that circular RNAs (circRNAs) can play key roles in the development and the progression of cancer. However, the role of circRNAs in ccRCC is still uncertain.MethodsThe circRNAs microarray (n = 4) was performed to investigate the circRNAs with differential expression in ccRCC tissues. The candidate circRNA was selected based on the cut‐off criteria, such as circRNA expression abundance, circRNA size and the design of divergent primers. The circ‐transportin‐3 (TNPO3) levels in ccRCC tissues were tested by quantitative real‐time (qRT)‐PCR (n = 110). The characteristics and subcellular localization of circ‐TNPO3 were identified via RNase R assay, qRT‐PCR and fluorescence in situ hybridization (FISH). Then, we explored the biological roles of circ‐TNPO3 in ccRCC via the function experiments in vitro and in vivo. RNA pull‐down, RNA immunoprecipitation, bioinformatic analysis, RNA‐FISH assays and rescue assays were applied to validate the interactions between circ‐TNPO3, insulin‐like growth factor 2 mRNA‐binding protein 2 (IGF2BP2) and serpin family H member 1 (SERPINH1) to uncover the underlying molecular mechanisms of circ‐TNPO3.ResultsWe detected the obvious downregulation of circ‐TNPO3 in ccRCC compared to matched adjacent normal tissues (n = 110). The lower circ‐TNPO3 expression was found in ccRCC patients with distant metastasis, higher World Health Organization/International Society of Urologic Pathologists (WHO/ISUP) grade and more advanced tumour T stage. In vitro and in vivo, circ‐TNPO3 significantly suppressed the proliferation and migration of ccRCC cells. Mechanistically, we elucidated that circ‐TNPO3 directly bound to IGF2BP2 protein and then destabilized SERPINH1 mRNA. Moreover, IGF2BP2/SERPINH1 axis was responsible for circ‐TNPO3's function of inhibiting ccRCC metastasis. Epithelial splicing regulatory protein 1 (ESRP1) was probably involved in the biogenesis of circ‐TNPO3.ConclusionsCirc‐TNPO3 can suppress ccRCC progression and metastasis via directly binding to IGF2BP2 protein and destabilizing SERPINH1 mRNA. Circ‐TNPO3 may act as a potential target for ccRCC treatment.
A resveratrol derivative modulates TRH and TRH‐like peptide expression throughout the brain and peripheral tissues of male rats
Authors: Pekary Albert Eugene , Sattin Albert 
Published: July 2022

AbstractIntroductionResveratrol and related polyphenols have therapeutic effects ranging from treatment of depression, Alzheimer's and Parkinson's disease, obesity, diabetes, neurodegeneration and ageing. TRH and TRH‐like peptides, with the structure pGlu‐X‐Pro‐NH2, where ‘X can be any amino acid reside, have reproductive, caloric‐restriction‐like, anti‐ageing, pancreatic‐β cell‐enhancing, cardiovascular and neuroprotective effects. We hypothesize that TRH and TRH‐like peptides are mediators of the therapeutic actions of the resveratrol derivative pterostilbene (PT).MethodsSixteen young adult male Sprague–Dawley rats were divided into four groups. Control group remained on ad libitum chow and water for 10 days. Acute group received ad libitum chow and water for 9 days and then 0.9 g PT/250 g rat chow for 24 h. Chronic animals received PT in chow for 10 days. Withdrawal rats received PT chow for 8 days and then normal chow for 2 days. TRH and TRH‐like peptide levels were measured in medulla oblongata (MED), frontal cortex (FCX), hypothalamus (HY), amygdala (AY), hippocampus (HC), piriform cortex (PIR), nucleus accumbens (NA), entorhinal cortex (ENT), striatum (STR), cerebellum (CBL), anterior cingulate (ACNG), posterior cingulate (PCNG), prostate (PR), liver (L), testis (T), heart (H), pancreas (PAN), adrenals (AD) and epididymis (EP).ResultsSignificant changes in the levels of TRH and TRH‐like peptides occurred throughout the brain and peripheral tissues in response to PT treatment.ConclusionThe high responsiveness of PIR, CBL, HY, STR, PCNG, MED, FCX, NA, ACNG and AY in brain and EP and PR is consistent with TRH and TRH‐like peptides participating in the therapeutic effects of PT.
Exploring the Impact of Lone Pairs on the Structural Features of Alkaline‐Earth (A) Transition‐Metal (M,M’) Chalcogenides (Q) AMM'Q3
Authors: Eickmeier Katharina , Poschkamp Ruben , Dronskowski Richard , Steinberg Simon 
Published: July 2022

AbstractUnderstanding electronic structures is decisive for the design of solid‐state materials, as its knowledge is providing invaluable information regarding the chemical and physical properties. One aspect of steady interest in electronic structure theory is the influence of lone pairs on the structural arrangements in a given solid. Herein, we report on explorations of the impact of lone pairs on the structural features of members belonging to a prolific family of alkaline‐earth‐metal (A) transition‐metal (M,M’) chalcogenides (Q). The outcome indicates that the aspects controlling the structural preferences in the inspected AMM'Q3‐type tellurides are rather subtle. In addition to the results of our first‐principles‐based investigations, we also provide a brief overview about the structural features for these tellurides including two new representatives which have been obtained from high‐temperature solid‐state reactions for the very first time.
Advances in the Synthesis of Biscarboranes
Authors: Cao Ke , Zhang Cai‐Yan 
Published: July 2022

AbstractBiscarboranes are comprised of two carborane units linked with a C−C, B−B or C−B bond, which have important applications in functional materials, coordination chemistry as well as metallacarboranes. Except the well‐developed 1,1′‐bis(o‐carborane), the biscarboranes linked with B−B and C−B bond are still rarely explored due to the limited synthetic methods. This review summarizes the methods for synthesis of biscarboranes in the past half century and recent advances thereof.
Evaluation of Three ISO Estrogen Receptor Transactivation Assays Applied to 52 Domestic Effluent Samples
Authors: Simon Eszter , Riegraf Carolin , Schifferli Andrea , Olbrich Daniel , Bucher Thomas , Vermeirssen Etiënne L. M. 
Published: July 2022

Abstract
Estrogens are released to the aquatic environment by wastewater treatment plant (WWTP) effluents and can affect wildlife. In the last three decades, many in vitro assay platforms have been developed to detect and quantify estrogenicity in water. In 2018, the International Organization for Standardization (ISO) standardized protocols became available for three types of in vitro estrogen receptor transactivation assays (ERTAs) detecting estrogenicity in 96-well plates (ISO19040 1-3). Two ERTAs—lyticase Yeast Estrogen Screen (L-YES) and Arxula YES (A-YES)—use genetically modified yeast strains, whereas the third utilizes stably transfected human cells. One human cell based assay is ERα-CALUX, which is based on a genetically modified human bone osteosarcoma cell line. In the present study, we characterized the performance, comparability, and effectiveness of these three ERTAs, including an evaluation involving proposed water quality thresholds (effect-based trigger values [EBTs]). For a robust evaluation, we collected 52 effluent samples over three sampling campaigns at 15 different WWTPs in Switzerland. Estrogen receptor transactivation assay results were correlated and compared with results from chemical analysis targeting known estrogens. The three ERTAs showed comparable data over all campaigns. However, the selection of EBTs plays a significant role in the interpretation and comparison of bioassay results to distinguish between acceptable and unacceptable water quality. Applying a fixed cross-assay EBT for effluent of 4 ng L−1 resulted in varying numbers of threshold exceedances ranging between zero and four samples depending on the ERTA used. Using assay-specific EBTs showed exceedances in eight samples (ERα-CALUX) and in one sample (A-YES), respectively. Thus, proposed EBTs do not produce similar risk profiles across samples and further refinement of assay-specific EBTs is needed to account for assay-specific differences and to enable the application of ERTAs as effect-based methods in environmental monitoring. Environ Toxicol Chem 2022;41:2512–2526. © 2022 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Abstract
Comparison of three ISO19040 in vitro estrogen receptor transactivation assays (ERα-CALUX, lyticase Yeast Estrogen Screen [L-YES] and Arxula YES [A-YES]) based on 52 wastewater treatment plant (WWTP) effluent extracts. In addition, bioassays results were compared with results from chemical analysis using liquid chromatography–mass spectrometry (LC-MS/MS) targeting known estrogens.
Joint bandwidth and power resource allocation technique in multi‐carrier non‐orthogonal multiple access‐based cognitive Internet of Things networks
Authors: Bany Salameh Haythem , Al‐Obiedollah Haitham , Arabiat Themar , Al‐ajlouni Ahmad , Jararweh Yaser 
Published: July 2022

AbstractThe recent development of the Internet of Things (IoT) devices offers an intelligent concept for integrating massive number of interconnected wireless devices. However, supporting such massive number of IoT connections (hundreds of billions) requires an efficient and dynamic spectrum access strategy. Accordingly, the integration of non‐orthogonal multiple access (NOMA) in the cognitive radio (CR) systems, referred to as a multi‐carrier NOMA CR‐enabled system, is envisioned as a potential spectrum‐efficient networking paradigm that can support massive energy‐efficient IoT connectivity in B5G networks while maintaining the quality of services (QoS) of the IoT devices. However, the power consumption issue of the multi‐carrier NOMA CR‐based system becomes as one of key challenges, especially when considering the expected massive connectivity. Accordingly, several power‐aware optimization frameworks have been considered to address this issue. While most of the existing CR‐based multi‐carrier NOMA power allocation mechanisms only optimize the allocated per‐user power, this article proposes a novel joint bandwidth and power allocation problem over each available idle channel with the aim of minimizing the overall transmission power under a set of QoS constrains. Specifically, the bandwidth of each channel is adaptively subdivided into two variable‐width sub‐channels, each is capable to serve a group of CR users using power‐domain NOMA. This novel design is formulated as a joint optimization problem that is shown to be a non‐convex. Therefore, an iterative algorithm with a second‐order cone programming is deployed to handle the non‐convexity of the problem, and thus, determine the solution of it. Simulation results reveal that the developed variable bandwidth adaptive power allocation mechanism outperforms the conventional equal sub‐channel allocation in terms of the required transmission power, which significantly improves the energy efficiency in the system.