bluuebunny/crossref_metadata_2025_split huggingface dataset:
Outpacing conventional nicotinamide hydrogenation catalysis by a strongly communicating heterodinuclear photocatalyst
Authors: Zedler Linda , Wintergerst Pascal , Mengele Alexander K. , Müller Carolin , Li Chunyu , Dietzek-Ivanšić Benjamin , Rau Sven 
Published: May 2022

AbstractUnequivocal assignment of rate-limiting steps in supramolecular photocatalysts is of utmost importance to rationally optimize photocatalytic activity. By spectroscopic and catalytic analysis of a series of three structurally similar [(tbbpy)2Ru-BL-Rh(Cp*)Cl]3+ photocatalysts just differing in the central part (alkynyl, triazole or phenazine) of the bridging ligand (BL) we are able to derive design strategies for improved photocatalytic activity of this class of compounds (tbbpy = 4,4´-tert-butyl-2,2´-bipyridine, Cp* = pentamethylcyclopentadienyl). Most importantly, not the rate of the transfer of the first electron towards the RhIII center but rather the rate at which a two-fold reduced RhI species is generated can directly be correlated with the observed photocatalytic formation of NADH from NAD+. Interestingly, the complex which exhibits the fastest intramolecular electron transfer kinetics for the first electron is not the one that allows the fastest photocatalysis. With the photocatalytically most efficient alkynyl linked system, it is even possible to overcome the rate of thermal NADH formation by avoiding the rate-determining β-hydride elimination step. Moreover, for this photocatalyst loss of the alkynyl functionality under photocatalytic conditions is identified as an important deactivation pathway.
Contribution of rare whole-genome sequencing variants to plasma protein levels and the missing heritability
Authors: Kierczak Marcin , Rafati Nima , Höglund Julia , Gourlé Hadrien , Lo Faro Valeria , Schmitz Daniel , Ek Weronica E. , Gyllensten Ulf , Enroth Stefan , Ekman Diana , Nystedt Björn , Karlsson Torgny , Johansson Åsa 
Published: May 2022

AbstractDespite the success of genome-wide association studies, much of the genetic contribution to complex traits remains unexplained. Here, we analyse high coverage whole-genome sequencing data, to evaluate the contribution of rare genetic variants to 414 plasma proteins. The frequency distribution of genetic variants is skewed towards the rare spectrum, and damaging variants are more often rare. We estimate that less than 4.3% of the narrow-sense heritability is expected to be explained by rare variants in our cohort. Using a gene-based approach, we identify Cis-associations for 237 of the proteins, which is slightly more compared to a GWAS (N = 213), and we identify 34 associated loci in Trans. Several associations are driven by rare variants, which have larger effects, on average. We therefore conclude that rare variants could be of importance for precision medicine applications, but have a more limited contribution to the missing heritability of complex diseases.
Synthesis and characterization of tetraphenylammonium salts
Authors: Fujita Hikaru , Sasamoto Ozora , Kobayashi Shiori , Kitamura Masanori , Kunishima Munetaka 
Published: May 2022

AbstractThe phenyl (Ph) group is a representative substituent in the field of organic chemistry as benzene (the parent molecule) is of fundamental importance. Simple Ph-substituted compounds of common chemical elements are well known. However, extensive structural characterization of tetraphenylammonium (Ph4N+) salts has not been reported. Herein, the synthesis of Ph4N+ salts and their characterization data including the 1H and 13C nuclear magnetic resonance (NMR) spectra and the single-crystal X-ray structure have been presented. An intermolecular radical coupling reaction between an aryl radical and a triarylammoniumyl radical cation was conducted to synthesize the target moieties. The Ph4N+ salts described herein are the simplest tetraarylammonium (Ar4N+) salts known. The results reported herein can potentially help access the otherwise inaccessible non-bridged Ar4N+ salts, a new class of rigid and sterically hindered organic cations.
Spatial epitranscriptomics reveals A-to-I editome specific to cancer stem cell microniches
Authors: Lee Amos C. , Lee Yongju , Choi Ahyoun , Lee Han-Byoel , Shin Kyoungseob , Lee Hyunho , Kim Ji Young , Ryu Han Suk , Kim Hoe Suk , Ryu Seung Yeon , Lee Sangeun , Cheun Jong-Ho , Yoo Duck Kyun , Lee Sumin , Choi Hansol , Ryu Taehoon , Yeom Huiran , Kim Namphil , Noh Jinsung , Lee Yonghee , Kim Inyoung , Bae Sangwook , Kim Jinhyun , Lee Wooseok , Kim Okju , Jung Yushin , Kim Changhoe , Song Seo Woo , Choi Yeongjae , Chung Junho , Kim Byung Gee , Han Wonshik , Kwon Sunghoon 
Published: May 2022

AbstractEpitranscriptomic features, such as single-base RNA editing, are sources of transcript diversity in cancer, but little is understood in terms of their spatial context in the tumour microenvironment. Here, we introduce spatial-histopathological examination-linked epitranscriptomics converged to transcriptomics with sequencing (Select-seq), which isolates regions of interest from immunofluorescence-stained tissue and obtains transcriptomic and epitranscriptomic data. With Select-seq, we analyse the cancer stem cell-like microniches in relation to the tumour microenvironment of triple-negative breast cancer patients. We identify alternative splice variants, perform complementarity-determining region analysis of infiltrating T cells and B cells, and assess adenosine-to-inosine base editing in tumour tissue sections. Especially, in triple-negative breast cancer microniches, adenosine-to-inosine editome specific to different microniche groups is identified.
Identification of oleoylethanolamide as an endogenous ligand for HIF-3α
Authors: Diao Xiaotong , Ye Fei , Zhang Meina , Ren Xintong , Tian Xiaoxu , Lu Jingping , Sun Xiangnan , Hou Zeng , Chen Xiaoyu , Li Fengwei , Zhuang Jingjing , Ding Hong , Peng Chao , Rastinejad Fraydoon , Luo Cheng , Wu Dalei 
Published: May 2022

AbstractHypoxia-inducible factors (HIFs) are α/β heterodimeric transcription factors modulating cellular responses to the low oxygen condition. Among three HIF-α isoforms, HIF-3α is the least studied to date. Here we show that oleoylethanolamide (OEA), a physiological lipid known to regulate food intake and metabolism, binds selectively to HIF-3α. Through crystallographic analysis of HIF-3 α/β heterodimer in both apo and OEA-bound forms, hydrogen-deuterium exchange mass spectrometry (HDX-MS), molecular dynamics (MD) simulations, and biochemical and cell-based assays, we unveil the molecular mechanism of OEA entry and binding to the PAS-B pocket of HIF-3α, and show that it leads to enhanced heterodimer stability and functional modulation of HIF-3. The identification of HIF-3α as a selective lipid sensor is consistent with recent human genetic findings linking HIF-3α with obesity, and demonstrates that endogenous metabolites can directly interact with HIF-α proteins to modulate their activities, potentially as a regulatory mechanism supplementary to the well-known oxygen-dependent HIF-α hydroxylation.
State of ex situ conservation of landrace groups of 25 major crops
Authors: Ramirez-Villegas Julian , Khoury Colin K. , Achicanoy Harold A. , Diaz Maria Victoria , Mendez Andres C. , Sosa Chrystian C. , Kehel Zakaria , Guarino Luigi , Abberton Michael , Aunario Jorrel , Awar Bashir Al , Alarcon Juan Carlos , Amri Ahmed , Anglin Noelle L. , Azevedo Vania , Aziz Khadija , Capilit Grace Lee , Chavez Oswaldo , Chebotarov Dmytro , Costich Denise E. , Debouck Daniel G. , Ellis David , Falalou Hamidou , Fiu Albert , Ghanem Michel Edmond , Giovannini Peter , Goungoulou Alphonse J. , Gueye Badara , Hobyb Amal Ibn El , Jamnadass Ramni , Jones Chris S. , Kpeki Bienvenu , Lee Jae-Sung , McNally Kenneth L. , Muchugi Alice , Ndjiondjop Marie-Noelle , Oyatomi Olaniyi , Payne Thomas S. , Ramachandran Senthil , Rossel Genoveva , Roux Nicolas , Ruas Max , Sansaloni Carolina , Sardos Julie , Setiyono Tri Deri , Tchamba Marimagne , van den Houwe Ines , Velazquez J. Alejandro , Venuprasad Ramaiah , Wenzl Peter , Yazbek Mariana , Zavala Cristian 
Published: May 2022

AbstractCrop landraces have unique local agroecological and societal functions and offer important genetic resources for plant breeding. Recognition of the value of landrace diversity and concern about its erosion on farms have led to sustained efforts to establish ex situ collections worldwide. The degree to which these efforts have succeeded in conserving landraces has not been comprehensively assessed. Here we modelled the potential distributions of eco-geographically distinguishable groups of landraces of 25 cereal, pulse and starchy root/tuber/fruit crops within their geographic regions of diversity. We then analysed the extent to which these landrace groups are represented in genebank collections, using geographic and ecological coverage metrics as a proxy for genetic diversity. We find that ex situ conservation of landrace groups is currently moderately comprehensive on average, with substantial variation among crops; a mean of 63% ± 12.6% of distributions is currently represented in genebanks. Breadfruit, bananas and plantains, lentils, common beans, chickpeas, barley and bread wheat landrace groups are among the most fully represented, whereas the largest conservation gaps persist for pearl millet, yams, finger millet, groundnut, potatoes and peas. Geographic regions prioritized for further collection of landrace groups for ex situ conservation include South Asia, the Mediterranean and West Asia, Mesoamerica, sub-Saharan Africa, the Andean mountains of South America and Central to East Asia. With further progress to fill these gaps, a high degree of representation of landrace group diversity in genebanks is feasible globally, thus fulfilling international targets for their ex situ conservation.
Detecting and quantifying entanglement on near-term quantum devices
Authors: Wang Kun , Song Zhixin , Zhao Xuanqiang , Wang Zihe , Wang Xin 
Published: May 2022

AbstractQuantum entanglement is a key resource in quantum technology, and its quantification is a vital task in the current noisy intermediate-scale quantum (NISQ) era. This paper combines hybrid quantum-classical computation and quasi-probability decomposition to propose two variational quantum algorithms, called variational entanglement detection (VED) and variational logarithmic negativity estimation (VLNE), for detecting and quantifying entanglement on near-term quantum devices, respectively. VED makes use of the positive map criterion and works as follows. Firstly, it decomposes a positive map into a combination of quantum operations implementable on near-term quantum devices. It then variationally estimates the minimal eigenvalue of the final state, obtained by executing these implementable operations on the target state and averaging the output states. Deterministic and probabilistic methods are proposed to compute the average. At last, it asserts that the target state is entangled if the optimized minimal eigenvalue is negative. VLNE builds upon a linear decomposition of the transpose map into Pauli terms and the recently proposed trace distance estimation algorithm. It variationally estimates the well-known logarithmic negativity entanglement measure and could be applied to quantify entanglement on near-term quantum devices. Experimental and numerical results on the Bell state, isotropic states, and Breuer states show the validity of the proposed entanglement detection and quantification methods.
Elemental analyses reveal distinct mineralization patterns in radular teeth of various molluscan taxa
Authors: Krings Wencke , Brütt Jan-Ole , Gorb Stanislav N. 
Published: May 2022

AbstractThe molluscan phylum is the second specious animal group with its taxa feeding on a variety of food sources. This is enabled by the radula, a chitinous membrane with embedded teeth, one important autapomorphy. Between species, radulae can vary in their morphology, mechanical, and chemical properties. With regard to chemical composition, some taxa (Polyplacophora and Patellogastropoda) were studied extensively in the past decades, due to their specificity to incorporate high proportions of iron, calcium, and silicon. There is, however, a huge lack of knowledge about radular composition in other taxa. The work presented aims at shedding light on the chemistry by performing energy-dispersive X-ray spectroscopy analyses on 24 molluscan species, thereof two Polyplacophora, two Cephalopoda, and 20 Gastropoda, which was never done before in such a comprehensiveness. The elements and their proportions were documented for 1448 individual, mature teeth and hypotheses about potential biomineralization types were proposed. The presented work additionally comprises a detailed record on past studies about the chemical composition of molluscan teeth, which is an important basis for further investigation of the radular chemistry. The found disparity in elements detected, in their distribution and proportions highlights the diversity of evolutionary solutions, as it depicts multiple biomineralization types present within Mollusca.
Investigating the appropriate adenosine deaminase cutoff value for the diagnosis of tuberculous pleural effusion in a country with decreasing TB burden
Authors: Kim Hyung Woo , Kim Kyung Hoon , Shin Ah Young , Choi Joon Young , Ahn Joong Hyun , Kim Ju Sang , Ban Woo Ho , Oh Jongyeol , Ha Jick Hwan 
Published: May 2022

AbstractAs the burden of tuberculosis (TB) in South Korea decreases while that of malignancy increases with an aging society, the composition of etiology for pleural effusion is changing. The aim of this study was to investigate the diagnostic value of adenosine deaminase (ADA) for diagnosis of tuberculous pleural effusion (TPE) in this circumstance. Medical records of patients who underwent medical thoracoscopy from May 2015 to September 2020 in Incheon St. Mary Hospital, Korea were retrospectively reviewed. TPE was diagnosed if one of the following criteria was met: (1) granuloma in pleura, (2) positive TB polymerase chain reaction or culture in pleural fluid or tissue with non-specific pathologic findings in pleura, or (3) bacteriologically confirmed pulmonary TB with non-specific pathologic findings in pleura. A total of 292 patients, including 156 with malignant pleural effusion (MPE), 52 with TPE, and 84 with other benign effusion, were analyzed. Among 206 patients with lymphocyte dominant pleural effusion, the area under receiver characteristic curve of ADA for diagnosis of TPE was 0.971. The sensitivity and specificity of a current cutoff value of 40 IU/L were 1.00 and 0.61, respectively, whereas those of a raised cutoff value of 70 IU/L were 0.93 and 0.93, respectively. Among 54 patients with ADA levels of 40–70 IU/L, 30 (55.6%) patients were diagnosed as MPE, 21 (38.9%) as other benign effusion, and only 3 (5.6%) as TPE. Caution is needed in clinical diagnosis of TPE with current ADA cutoff value in countries with decreasing TB incidence, due to many false positive cases.
Latent class analysis of occupational accidents patterns among Iranian industry workers
Authors: Saranjam Behzad , Shirinzadeh Islam , Davoudi Kobra , Moammeri Zahra , Babaei-Pouya Amin , Abbasi-Ghahramanloo Abbas 
Published: May 2022

AbstractOccupational accidents (OA) are among the main causes of disabilities and death in developing and developed countries. The aims of this study were to identify the subgroups of OA and assess the independent role of demographic characteristics on the membership of participants in each latent class. This cross-sectional study was performed on 290 workers between 2011 and 2017. Data gathering was done using the reports of accidents recorded in filed lawsuits. Descriptive statistical analysis was done using SPSS 16 and LCA was done using PROC LCA in SAS9.2. For latent classes were identified; namely “critical due to distractions and lack of supervision” (40.1%), “critical due to lack of safety knowledge” (27.9%), “critical due to fatigue and lack of supervision” (13.1%), and “catastrophic” (18.8%). After adjusting for other studied covariates, being illiterate significantly increased the odds of membership in “critical due to fatigue and lack of supervision” (OR = 4.05) and “catastrophic” (OR = 18.99) classes compared to “critical due to distractions and lack of supervision” class. Results of this study showed that the majority of workers fell under the latent class of critical due to distractions and lack of supervision. In addition, it should be noted that although a relatively small percentage of the workers are in the catastrophic class, the probability of occurring death is quite high in this class. Focusing on the education of workers and enhancing manager’s supervision and employing educated workers could help in reducing severe and catastrophic OA.
Single-shot femtosecond bulk micromachining of silicon with mid-IR tightly focused beams
Authors: Mareev Evgenii , Pushkin Andrey , Migal Ekaterina , Lvov Kirill , Stremoukhov Sergey , Potemkin Fedor 
Published: May 2022

AbstractBeing the second most abundant element on earth after oxygen, silicon remains the working horse for key technologies for the years. Novel photonics platform for high-speed data transfer and optical memory demands higher flexibility of the silicon modification, including on-chip and in-bulk inscription regimes. These are deepness, three-dimensionality, controllability of sizes and morphology of created modifications. Mid-IR (beyond 4 µm) ultrafast lasers provide the required control for all these parameters not only on the surface (as in the case of the lithographic techniques), but also inside the bulk of the semiconductor, paving the way to an unprecedented variety of properties that can be encoded via such an excitation. We estimated the deposited energy density as 6 kJ cm−3 inside silicon under tight focusing of mid-IR femtosecond laser radiation, which exceeds the threshold value determined by the specific heat of fusion (~ 4 kJ cm−3). In such a regime, we successfully performed single-pulse silicon microstructuring. Using third-harmonic and near-IR microscopy, and molecular dynamics, we demonstrated that there is a low-density region in the center of a micromodification, surrounded by a “ring” with higher density, that could be an evidence of its micro-void structure. The formation of created micromodification could be controlled in situ using third-harmonic generation microscopy. The numerical simulation indicates that single-shot damage becomes possible due to electrons heating in the conduction band up to 8 eV (mean thermal energy) and the subsequent generation of microplasma with an overcritical density of 8.5 × 1021 cm−3. These results promise to be the foundation of a new approach of deep three-dimensional single-shot bulk micromachining of silicon.
Arboreal camera trap reveals the frequent occurrence of a frugivore-carnivore in neotropical nutmeg trees
Authors: Séguigne Marie , Coutant Opale , Bouton Benoît , Picart Lionel , Guilbert Éric , Forget Pierre-Michel 
Published: May 2022

AbstractArboreal and flying frugivorous animals represent primary dispersers in the Neotropics. Studies suggest a possible compensation for the loss of large species by smaller ones with expanding rampant anthropogenic pressures and declining populations of larger frugivores. However, studies on seed dispersal by frugivores vertebrates generally focus on the diurnal, terrestrial, canopy, and flying species, with the nocturnal canopy ones being less studied. Setting camera traps high in the canopy of fruiting nutmeg trees revealed for the first time the high frequency of the kinkajou (Potos flavus, Schreber, 1774, Procyonidae), an overlooked nocturnal frugivore species (Order Carnivora) in the Guianas. The diversity of the fruit species consumed by the kinkajou calls for considering it as an important seed disperser. The overlap of the size of seeds dispersed by frugivores observed in nutmeg trees suggests that the small (2–5 kg) kinkajou may compensate for the loss of large (5–10 kg) frugivorous vertebrates in the canopy. Camera traps visualise how the kinkajou is adapted to forage in the nutmeg tree crown and grab the fruit. Such information is vital for conservation because compensation of seed dispersal by small frugivores is crucial in increasing anthropogenic stressors.
Performance analysis of LDPC coded GFDM systems
Authors: Wang Yanpeng , Fortier Paul 
Published: May 2022

AbstractThis paper analyzes the error probability performance of low‐density parity‐check (LDPC) coded generalized frequency division multiplexing (GFDM) systems over Rayleigh fading and additive white Gaussian noise (AWGN) channels. The initial log‐likelihood ratio (LLR) expressions used in the sum‐product algorithm (SPA) decoder are first derived for the system model presented in this paper. Based on the decoding threshold of the system, the frame error rate (FER) in the low region is estimated by modeling the channel variations using the observed bit error rate (BER). Then, a lower bound based on the absorbing sets is proposed for FER when quantized SPA decoders are used. For AWGN channels, the lower bound can act as an estimate of the FER in the error‐floor region if the absorbing set is dominant and its multiplicity is known. For Rayleigh channels, the lower bound can still be used to estimate the FER performance of selected codes. The estimation approach for the FER in the low region and the lower bound on the FER in the high region can be used as practical tools for evaluating different designs of GFDM‐based systems in terms of the error probability performance. The quantization scheme has an important impact on the FER and BER performances. Randomly constructed and array‐based LDPC codes are used to obtain numerical results that show the system performance and the accuracy of the proposed FER estimations.
Experimental verification of smart grid control functions on international grids using a real‐time simulator
Authors: Palaniappan Rajkumar , Molodchyk Oleksii , Shariati‐Sarcheshmeh Mahdi , Asmah Marilyn Winifred , Liu Jiayan , Schlichtherle Tobias , Richter Frank , Kwofie Ekow Appiah , Festner Daniel Rios , Blanco Gerardo , Mutule Anna , Borscevskis Olegs , Rafaat Shady S. , Li Yong , Häger Ulf , Rehtanz Christian 
Published: May 2022

AbstractThe drastic increase in distributed energy resources (DERs) leads to challenges in the operation of distribution systems worldwide. While several solutions for grid monitoring and control are available on the market and in literature, this research is the first of its kind aiming to supervise the grid by providing a modular configurable unified hardware and software architecture. The control algorithms are configured using data models according to IEC 61850‐7‐3 and IEC 61850‐7‐4. The novel system architecture is a portable, modular and flexible architecture that aggregates smart grid control functions onto a standardised hardware platform, emphasising the need for hardware independence. The central controller contains several smart grid control functions and the various field devices are distributed across the distribution grid. This paper deals with the simulation of different real‐world distribution grids on the Real‐Time Simulator (RTS) and experimental verification of the control algorithms. Smart grid control functions such as Coordinated Voltage Control (CVC) and Optimal Power Flow (OPF) are experimentally verified on a German grid. The grid dynamics are compared when the central controller executes the CVC against the OPF implementations. The experimental results, advantages and challenges of each control are presented here. The results also showed the variation in grid behaviour when the control parameters were varied. The paper also shows that the algorithm and the choice of the control parameters depend upon the distribution grid's complexity and the system operator's individual needs. The results illustrate the potential of such a universal distribution automation solution for system operators worldwide.