bluuebunny/crossref_metadata_2025 huggingface dataset:
The Cymbidium genome reveals the evolution of unique morphological traits
Authors: Ai Ye , Li Zhen , Sun Wei-Hong , Chen Juan , Zhang Diyang , Ma Liang , Zhang Qing-Hua , Chen Ming-Kun , Zheng Qing-Dong , Liu Jiang-Feng , Jiang Yu-Ting , Li Bai-Jun , Liu Xuedie , Xu Xin-Yu , Yu Xia , Zheng Yu , Liao Xing-Yu , Zhou Zhuang , Wang Jie-Yu , Wang Zhi-Wen , Xie Tai-Xiang , Ma Shan-Hu , Zhou Jie , Ke Yu-Jie , Zhou Yu-Zhen , Lu Hsiang-Chia , Liu Ke-Wei , Yang Feng-Xi , Zhu Gen-Fa , Huang Laiqiang , Peng Dong-Hui , Chen Shi-Pin , Lan Siren , Van de Peer Yves , Liu Zhong-Jian
Published: December 2021

The marvelously diverse Orchidaceae constitutes the largest family of angiosperms. The genus Cymbidium in Orchidaceae is well known for its unique vegetation, floral morphology, and flower scent traits. Here, a chromosome-scale assembly of the genome of Cymbidium ensifolium (Jianlan) is presented. Comparative genomic analysis showed that C. ensifolium has experienced two whole-genome duplication (WGD) events, the most recent of which was shared by all orchids, while the older event was the τ event shared by most monocots. The results of MADS-box genes analysis provided support for establishing a unique gene model of orchid flower development regulation, and flower shape mutations in C. ensifolium were shown to be associated with the abnormal expression of MADS-box genes. The most abundant floral scent components identified included methyl jasmonate, acacia alcohol and linalool, and the genes involved in the floral scent component network of C. ensifolium were determined. Furthermore, the decreased expression of photosynthesis-antennae and photosynthesis metabolic pathway genes in leaves was shown to result in colorful striped leaves, while the increased expression of MADS-box genes in leaves led to perianth-like leaves. Our results provide fundamental insights into orchid evolution and diversification.
Integrative genome, transcriptome, microRNA, and degradome analysis of water dropwort (Oenanthe javanica) in response to water stress
Authors: Liu Jie-Xia , Jiang Qian , Tao Jian-Ping , Feng Kai , Li Tong , Duan Ao-Qi , Wang Hao , Xu Zhi-Sheng , Liu Hui , Xiong Ai-Sheng
Published: December 2021

Water dropwort (Liyang Baiqin,Oenanthe javanica(BI.) DC.) is an aquatic perennial plant from the Apiaceae family with abundant protein, dietary fiber, vitamins, and minerals. It usually grows in wet soils and can even grow in water. Here, whole-genome sequencing ofO. javanicavia HiSeq 2000 sequencing technology was reported for the first time. The genome size was 1.28 Gb, including 42,270 genes, of which 93.92% could be functionally annotated. An online database of the whole-genome sequences of water dropwort, Water dropwortDB, was established to share the results and facilitate further research onO. javanica(database homepage:http://apiaceae.njau.edu.cn/waterdropwortdb). Water dropwortDB offers whole-genome and transcriptome sequences and a Basic Local Alignment Search Tool. Comparative analysis with other species showed that the evolutionary relationship betweenO. javanicaandDaucus carotawas the closest. Twenty-five gene families ofO. javanicawere found to be expanded, and some genetic factors (such as genes and miRNAs) related to phenotypic and anatomic differentiation inO. javanicaunder different water conditions were further investigated. Two miRNA and target gene pairs (miR408 andOja15472, miR171 andOja47040) were remarkably regulated by water stress. The obtained reference genome ofO. javanicaprovides important information for future work, thus making in-depth genetic breeding and gene editing possible. The present study also provides a foundation for the understanding of theO. javanicaresponse to water stress, including morphological, anatomical, and genetic differentiation.
Histone variant H2A.Z regulates zygotic genome activation
Authors: Ibarra-Morales Dafne , Rauer Michael , Quarato Piergiuseppe , Rabbani Leily , Zenk Fides , Schulte-Sasse Mariana , Cardamone Francesco , Gomez-Auli Alejandro , Cecere Germano , Iovino Nicola
Published: December 2021

During embryogenesis, the genome shifts from transcriptionally quiescent to extensively active in a process known as Zygotic Genome Activation (ZGA). In Drosophila, the pioneer factor Zelda is known to be essential for the progression of development; still, it regulates the activation of only a small subset of genes at ZGA. However, thousands of genes do not require Zelda, suggesting that other mechanisms exist. By conducting GRO-seq, HiC and ChIP-seq in Drosophila embryos, we demonstrate that up to 65% of zygotically activated genes are enriched for the histone variant H2A.Z. H2A.Z enrichment precedes ZGA and RNA Polymerase II loading onto chromatin. In vivo knockdown of maternally contributed Domino, a histone chaperone and ATPase, reduces H2A.Z deposition at transcription start sites, causes global downregulation of housekeeping genes at ZGA, and compromises the establishment of the 3D chromatin structure. We infer that H2A.Z is essential for the de novo establishment of transcriptional programs during ZGA via chromatin reorganization.
Cross-species analysis of viral nucleic acid interacting proteins identifies TAOKs as innate immune regulators
Authors: Pennemann Friederike L. , Mussabekova Assel , Urban Christian , Stukalov Alexey , Andersen Line Lykke , Grass Vincent , Lavacca Teresa Maria , Holze Cathleen , Oubraham Lila , Benamrouche Yasmine , Girardi Enrico , Boulos Rasha E. , Hartmann Rune , Superti-Furga Giulio , Habjan Matthias , Imler Jean-Luc , Meignin Carine , Pichlmair Andreas
Published: December 2021

The cell intrinsic antiviral response of multicellular organisms developed over millions of years and critically relies on the ability to sense and eliminate viral nucleic acids. Here we use an affinity proteomics approach in evolutionary distant species (human, mouse and fly) to identify proteins that are conserved in their ability to associate with diverse viral nucleic acids. This approach shows a core of orthologous proteins targeting viral genetic material and species-specific interactions. Functional characterization of the influence of 181 candidates on replication of 6 distinct viruses in human cells and flies identifies 128 nucleic acid binding proteins with an impact on virus growth. We identify the family of TAO kinases (TAOK1, −2 and −3) as dsRNA-interacting antiviral proteins and show their requirement for type-I interferon induction. Depletion of TAO kinases in mammals or flies leads to an impaired response to virus infection characterized by a reduced induction of interferon stimulated genes in mammals and impaired expression of srg1 and diedel in flies. Overall, our study shows a larger set of proteins able to mediate the interaction between viral genetic material and host factors than anticipated so far, attesting to the ancestral roots of innate immunity and to the lineage-specific pressures exerted by viruses.
Coral reef biofilm bacterial diversity and successional trajectories are structured by reef benthic organisms and shift under chronic nutrient enrichment
Authors: Remple Kristina L. , Silbiger Nyssa J. , Quinlan Zachary A. , Fox Michael D. , Kelly Linda Wegley , Donahue Megan J. , Nelson Craig E.
Published: December 2021

Work on marine biofilms has primarily focused on host-associated habitats for their roles in larval recruitment and disease dynamics; little is known about the factors regulating the composition of reef environmental biofilms. To contrast the roles of succession, benthic communities and nutrients in structuring marine biofilms, we surveyed bacteria communities in biofilms through a six-week succession in aquaria containing macroalgae, coral, or reef sand factorially crossed with three levels of continuous nutrient enrichment. Our findings demonstrate how biofilm successional trajectories diverge from temporal dynamics of the bacterioplankton and how biofilms are structured by the surrounding benthic organisms and nutrient enrichment. We identify a suite of biofilm-associated bacteria linked with the orthogonal influences of corals, algae and nutrients and distinct from the overlying water. Our results provide a comprehensive characterization of marine biofilm successional dynamics and contextualize the impact of widespread changes in reef community composition and nutrient pollution on biofilm community structure.
Predicting the inhibition efficiencies of magnesium dissolution modulators using sparse machine learning models
Authors: Schiessler Elisabeth J. , Würger Tim , Lamaka Sviatlana V. , Meißner Robert H. , Cyron Christian J. , Zheludkevich Mikhail L. , Feiler Christian , Aydin Roland C.
Published: December 2021

The degradation behaviour of magnesium and its alloys can be tuned by small organic molecules. However, an automatic identification of effective organic additives within the vast chemical space of potential compounds needs sophisticated tools. Herein, we propose two systematic approaches of sparse feature selection for identifying molecular descriptors that are most relevant for the corrosion inhibition efficiency of chemical compounds. One is based on the classical statistical tool of analysis of variance, the other one based on random forests. We demonstrate how both can—when combined with deep neural networks—help to predict the corrosion inhibition efficiencies of chemical compounds for the magnesium alloy ZE41. In particular, we demonstrate that this framework outperforms predictions relying on a random selection of molecular descriptors. Finally, we point out how autoencoders could be used in the future to enable even more accurate automated predictions of corrosion inhibition efficiencies.
IκBα is required for full transcriptional induction of some NFκB-regulated genes in response to TNF in MCF-7 cells
Authors: Ando Minami , Magi Shigeyuki , Seki Masahide , Suzuki Yutaka , Kasukawa Takeya , Lefaudeux Diane , Hoffmann Alexander , Okada Mariko
Published: December 2021

Inflammatory stimuli triggers the degradation of three inhibitory κB (IκB) proteins, allowing for nuclear translocation of nuclear factor-κB (NFκB) for transcriptional induction of its target genes. Of these three, IκBα is a well-known negative feedback regulator that limits the duration of NFκB activity. We sought to determine whether IκBα’s role in enabling or limiting NFκB activation is important for tumor necrosis factor (TNF)-induced gene expression in human breast cancer cells (MCF-7). Contrary to our expectations, many more TNF-response genes showed reduced induction than enhanced induction in IκBα knockdown cells. Mathematical modeling was used to investigate the underlying mechanism. We found that the reduced activation of some NFκB target genes in IκBα-deficient cells could be explained by the incoherent feedforward loop (IFFL) model. In addition, for a subset of genes, prolonged NFκB activity due to loss of negative feedback control did not prolong their transient activation; this implied a multi-state transcription cycle control of gene induction. Genes encoding key inflammation-related transcription factors, such asJUNBandKLF10, were found to be best represented by a model that contained both the IFFL and the transcription cycle motif. Our analysis sheds light on the regulatory strategies that safeguard inflammatory gene expression from overproduction and repositions the function of IκBα not only as a negative feedback regulator of NFκB but also as an enabler of NFκB-regulated stimulus-responsive inflammatory gene expression. This study indicates the complex involvement of IκBα in the inflammatory response to TNF that is induced by radiation therapy in breast cancer.
Strain-induced enhancement in the electronic and thermal transport properties of the tin sulphide bilayer
Authors: Nag Shagun , Singh Ranber , Kumar Ranjan
Published: November 2021

The enhancement in the thermoelectric figure of merit (ZT) of a material is limited by the interplay between the electronic transport coefficients.
Transformation of carbon dots by ultraviolet irradiation, ozonation, and chlorination processes: kinetics and mechanisms
Authors: Shen Mengyao , Wu Jingyi , He Yuzheng , Liu Guoguang , Feng Yiping
Published: December 2021

Carbon dots can be efficiently degraded in UV, O3, and chlorine-based disinfection processes.
Evaporation crystallization of zero-dimensional guanidinium bismuth iodide perovskite single crystal for X-ray detection
Authors: Xu Yaxin , Hu Jiarui , Xiao Xingfu , He Huanfeng , Tong Guoliang , Chen Junnian , He Yunbin
Published: December 2021

We synthesized zero-dimensional (0D) lead-free guanidinium bismuth iodide ((Gua)3Bi2I9) single crystals via an antisolvent-assisted evaporation crystallization method, and exploited their potential X-ray detection merits.
Two-dimensional WO3 nanosheets for high-performance electrochromic supercapacitors
Authors: Wang Shen , Xu Hongbo , Zhao Jiupeng , Li Yao
Published: December 2021

The 2D single crystal WO3 nanosheets with (101) preferred orientation facets self-assembled on an FTO substrate and were applied to an aqueous electrochromic-supercapacitor.
Regio- and enantioselective formation of tetrazole-bearing quaternary stereocenters via palladium-catalyzed allylic amination
Authors: Khan Shahid , Wang Yu , Zhang Mei-Na , Perveen Shahida , Zhang Junjie , Khan Ajmal
Published: December 2021

A general and efficient method via catalysis by readily available Pd(0)/DACH-naphthyl catalyst under mild conditions, unlocks a new platform that permits the synthesis of elusive quaternary N2-allylic tetrazoles, even in the context of late-stage functionalization.
Water-promoted regio-selective trifluoromethylation of vinyl conjugated diazoacetates
Authors: Han Xinxin , Liu Xin , Bao Yueyun , Song Hunahuan , Zhao Yu-Rou , Wang Xiaoying , Zhang Junjie , Liu Le , Duan Xin-Hua , Hu Jinbo , Hu Mingyou
Published: December 2021

An efficient trifluoromethylation reaction of vinyldiazoacetates under mild reaction conditions was depicted.
New wide-bandgap D–A polymer based on pyrrolo[3,4-b] dithieno[2,3-f:3′,2′-h]quinoxalindione and thiazole functionalized benzo[1,2-b:4,5-b′]dithiophene units for high-performance ternary organic solar cells with over 16% efficiency
Authors: Keshtov M. L. , Konstantinov I. O. , Kuklin S. A. , Davydova N. K. , Alekseev V. G. , Xie Z. , Agrawal Anupam , Sharma Ganesh D.
Published: December 2021

We have achieved a power conversion efficiency of 16.44% for the ternary polymer solar cell using a wide bandgap copolymer and two non-fullerene acceptors.
A temporal segmentation algorithm for restoring the controllability of networked control systems
Authors: Cui Yulong , Wu Mincheng , Shao Cunqi , He Shibo
Published: December 2021

Restoring the controllability of networked control systems is a fundamental issue that needs to be settled, especially when malicious attacks or malfunctions occur. Previous studies tried to address such an issue by adding extra driver nodes or rewiring edges, which will inevitably change the original network structure. In this paper, an algorithm to restore the controllability of networked systems while preserving the integrity of the original network structure is proposed. Specifically, a static uncontrollable network will be transformed into a controllable temporal network by means of the cactus‐based segmentation method. The original problem will be equivalent to the classical set cover problem, which is known to be NP‐Hard, if the least number of segmentations is considered. An approximation algorithm with polynomial time complexity is proposed and it is proved that the solution to the problem is two‐optimal. Finally, simulations are carried out to verify the effectiveness and feasibility of the proposed algorithm.
Detecting hand washing activity among activities of daily living and classification of WHO hand washing techniques using wearable devices and machine learning algorithms
Authors: Zhang Yiyuan , Xue Tianwei , Liu Zhenjie , Chen Wei , Vanrumste Bart
Published: November 2021

During COVID‐19, awareness of proper hand washing has increased significantly. It is critical that people learn the correct hand washing techniques and adopt good hand washing habits. Hence, this study proposes using wearable devices to detect hand washing activity among other daily living activities (ADLs) and classify steps proposed by the World Health Organization (WHO). Two experiments were conducted with 16 participants, aged from 20 to 31. The first experiment was hand washing following WHO regulation (ten participants), and the second experiment was performing eight ADLs (eight participants). All participants wore two wearable devices equipped with accelerometers and gyroscopes; one on each wrist. Four machine learning classifiers were compared in classifying hand washing steps in the leave‐one‐subject‐out (LOSO) mode. The SVM model with Gaussian kernel achieved the best performance in classifying 11 washing hands steps, with an average F1‐score of 0.8501. When detected among the other ADLs, hand washing following WHO regulation obtained the F1‐score of 0.9871. The study demonstrates that wearable devices are feasible to detect hand washing activity and the hand washing techniques as well. The classification results of getting the soap and rubbing thumbs are low, which will be the main focus in the future study.
Yeast cell detection in color microscopic images using ROC‐optimized decoloring and segmentation
Authors: Bajla Ivan , Teplan Michal
Published: November 2021

For the detection and evaluation of yeast cell microscopic images, decoloring and segmentation is crucial. Usually, a standard operation of color conversion to grayscale is used and subsequently, a thresholding algorithm is applied to yield the segmented cells. However, both types of these operations are controlled merely by fixed empirical parameters which are prone to inaccuracy. The authors illustrate a common problem of such a nonoptimal decoloring. They then develop a novel pipeline of algorithms for yeast cell color phantom generation. In this study, the authors extend Grundland' s decoloring approach and couple it with an adaptive thresholding operation. For the generated phantom, the parameters of these operations are optimized using the ROC‐based F1‐measure. It is showed that this measure is a better choice than the Precision and Recall measure alone. Computer experiments with various combinations of the operation coupling and different phantom backgrounds are accomplished, and the optimum values of all the controllable parameters are found. For the color phantom representing the most realistic conditions, the final fully optimized 4D combination of the improved Grundland' s decoloring and locally adaptive thresholding ensures more efficient cell detection performance than parameterless or nonoptimized combinations.
A new method to fit logistic functions with wind turbines power curves using manufacturer datasheets
Authors: Aldaoudeyeh Al‐Motasem , Alzaareer Khaled , Harasis Salman , Al‐Odat Zeyad , Obeidat Mohammad , Mansour Ayman , Wu Di , Salem Qusay
Published: December 2021

The literature contains different methods for estimating logistic functions parameters to fit the power‐speed characteristics of a wind turbine (WT). However, their disadvantages are: (1) they require a large amount of supervisory control and data acquisition data; (2) the parameter range needed for constrained optimization is not systematically determined; and/or (3) they do not guarantee monotonically increasing relationship between wind speed and predicted WT output power. This paper proposes a systematic approach to fitting the five‐ and the six‐parameter logistic functions to power‐speed data of WTs. The authors introduce new limits on the parameters of these functions, which guarantee their monotonicity. Most of these limits are determined analytically and are obtained from manufacturer datasheets. Afterwards, these limits are passed as optimization constraints for subspace trust region algorithm. The results show that the authors' method generally provides better accuracy with mean absolute percentage error values below 0.02 for the five‐parameter logistic function and below 0.005 for the six‐parameter logistic function. The authors present accurate fits for a group of WTs of different ratings (from 275 kW to 3000 kW) and 12 unique manufacturers, which proves the versatility of the authors' method.
Retracted: Wideband circularly polarised antenna ‘multi‐input‐multi‐output’ for wireless UWB applications
Authors: Laxman Pillalamarri , Jain Anuj
Published: December 2021

Circularly polarised multiple‐input‐output antennas embedded in wearable wireless devices attract importance in the individual security and beauty fabric modelling industry involving technology embedded on‐clothes wearables. A circularly polarised wideband is designed and analysed in the present design‐study where a wearable application uses a multiple‐input‐output. It adds 2 symmetric ‘Multi‐Input‐Multi‐Output’ antennas that are good looking design like a swan‐shaped, and the ground plane is similar to the shape of a swan. The designed novel antenna comprises a ground plane having a line feed and a rectangular inverted L‐type micro‐strip which is supporting circular polarisation. The antenna element is spanning at 3‐DeciBell (dB) Axial Ratio Band‐Width of 5.2–7.1 GHz and an impedance bandwidth (S11 less than or equal to −10 dB) of 3.6–13 GHz. The proposed antenna manifesting a channel capacity loss less than 0.2 b/s/Hz, and envelope correlation coefficient less than the value 0.02, total active reflective coefficient less than −10 dB, and diversity gain greater than the value of 9.96, Mean Effective Gain (also represented as MEG) ratio is within ±0.5 dB. There is a twin‐sense circular polarisation in this antenna and superior isolation between resonating elements (greater than 18). The proposed antenna for human tissues specimens is also discussed with its specific absorption rate (also pronounced as SAR) in different situations that pertain to the living body. The overall size of the proposed ‘Circularly Polarised’ textile ‘Multi‐Input‐Multi‐Output’ antenna is 34:5 × 42 × 1 mm3. Because of its textile layers, reasonable performance, and compact size, the designed ‘Multi‐Input‐Multi‐Output’ antenna may be useful for wearable applications. The presented novel antenna can be made unrecognisable with a beautiful swan‐shaped design that can simply comingle with the other designs of fabric (in the fashion dress). The simulated antenna was made‐up following regular and general manual techniques and verified in the proposed conditions. The corner‐to‐corner distance between the ‘Multi‐Input‐Multi‐Output’ antennas is 14.2 mm, and the achieved isolation is beyond 18 dB after suitable adjustments of the designed final antenna.
Phäochromozytom – Modellerkrankung für die personalisierte Medizin
Authors: Remde Hanna , Nölting Svenja
Published: November 2021

Was ist neu?

Pathophysiologie und Epidemiologie Phäochromozytome und Paragangliome (PPGL) sind Tumoren des Nebennierenmarks bzw. der Paraganglien mit malignem Potenzial. Sie lassen sich anhand der zugrunde liegenden Mutationen in Cluster unterteilen. Cluster-1-Tumoren basieren auf einer Aktivierung von Pseudohypoxie-Signalwegen, Cluster-2-Tumoren auf einer Aktivierung von Tyrosinkinase-abhängigen Signalwegen. Cluster-3-Tumore sind mit Veränderungen in Wnt-abhängigen Signalwegen assoziiert (auf Cluster 3 wird im Weiteren nicht genauer eingegangen, da vieles hierzu noch unbekannt ist). In 30–35 % der Fälle liegen (autosomal-dominant vererbte) Keimbahnmutationen vor. Weitere 35–40 % der Fälle beruhen auf somatischen Mutationen. Die Penetranz der Erkrankung ist abhängig vom betroffenen Gen, liegt jedoch bei allen Genen unter 50 %. Cluster-1-Tumoren sind häufiger extraadrenal lokalisiert und haben das höchste Metastasierungsrisiko. Cluster-2-Tumoren sind meist adrenal lokalisiert und haben ein geringes Metastasierungsrisiko.

Klinik und Diagnostik Patient*innen mit bekannter Keimbahnmutation sowie solche mit klinischen Zeichen und Symptomen eines PPGL, mit einem adrenalen Inzidentalom oder einem PPGL in der Vorgeschichte, sollten auf ein PPGL gescreent werden. Hierfür werden Metanephrin (MN), Normetanephrin (NMN) und 3-Methoxythyramin (3MT) im Plasma (optimalerweise mittels Massenspektrometrie LC/MS-MS) bestimmt. Cluster-1-Tumoren weisen ein noradrenerges, Cluster-2-Tumoren ein adrenerges Sekretionsmuster auf, wobei letztere mit einer ausgeprägteren und häufig intermittierenden Klinik (Palpitationen, Tremor, Hyperhidrosis, Angst, hypertensive Entgleisung) einhergehen. Werden deutlich erhöhte MN- und/oder NMN-Spiegel festgestellt, erfolgt eine bildgebende Tumorsuche mittels CT oder MRT, ggf. wird diese um eine funktionelle Bildgebung ergänzt.

Therapie Lokalisierte PPGL werden operativ entfernt. Dies kann meist minimalinvasiv erfolgen und sollte an einem erfahrenen Zentrum durchgeführt werden. Um Komplikationen zu vermeiden, erfolgt präoperativ eine medikamentöse α-Rezeptorblockade. Metastasierte PPGL werden derzeit mit Radionuklidtherapie, Chemotherapie oder Tyrosinkinase-Inhibitoren behandelt, auch wenn es noch keine offiziell zugelassenen Therapien gibt. Weitere neue Therapien befinden sich derzeit in der klinischen Testung.

Vor- und Nachsorge Die meisten Patient*innen, insbesondere die mit bestimmten Risikokonstellationen, benötigen aufgrund des Rezidiv- und Metastasenrisikos ein lebenslanges Follow-up, welches abhängig von der zugrunde liegenden Mutation gestaltet wird. Hierzu gehört die regelmäßige (meist jährliche) Bestimmung von MN und NMN im Plasma sowie in bestimmten Fällen auch eine Bildgebung. Da bei SDHx-Mutationen auch hormoninaktive PPGL auftreten können, werden für diese Patient*innen auch regelmäßige bildgebende Kontrollen nach einer kürzlich erschienenen Leitlinie empfohlen.
Update Großgefäßvaskulitis 2021
Authors: Czihal Michael , Hoffmann Ulrich
Published: November 2021

Was ist neu?

Klinischer Zugang Die Bestimmung der Prätestwahrscheinlichkeit auf Basis standardisierter Scoring-Systeme kann die Testgüte bildgebender Verfahren in der Diagnostik der Riesenzellarteriitis erhöhen.

Bildgebende Diagnostik Die hochauflösende Sonografie der Gefäßwand ist das Erstlinienverfahren in der Riesenzellarteriitis-Diagnostik, falsch positive Befunde können jedoch bei kardiovaskulärem Risikoprofil, insbesondere bei Männern jenseits des 70. Lebensjahres, vorkommen.

Therapiekontrolle In der Therapiekontrolle ist Bildgebung unverzichtbar. Die PET-CT ist hier am besten untersucht, jedoch verbleiben Unklarheiten bezüglich der Befundinterpretation. Eine wertvolle alternative bzw. ergänzende Methode stellt die Kontrastmittelsonografie dar.
Fetal Profile Markers for the Detection of Robin Sequence in Fetuses with Retrognathia
Authors: Wiechers Cornelia , Poets Christian , Hoopmann Markus , Kagan Karl Oliver
Published: December 2021

Objective To determine whether the prefrontal space ratio (PSFR), inferior facial (IFA) and maxilla-nasion-mandible angle (MNM), and the fetal profile line (FPL) are helpful in identifying fetuses with Robin sequence (RS) in cases with isolated retrognathia, and thus better predict the likelihood of immediate need for postnatal respiratory support.

Methods This was a retrospective matched case-control study of fetuses/infants with isolated retrognathia with or without RS receiving pre- and postnatal treatment at the University Hospital of Tübingen, Germany between 2008 and 2020. The PFSR, IFA, MNM, and FPL were measured in affected and normal fetuses according to standardized protocols. Cases were stratified into isolated retrognathia and RS.

Results 21 (n=7 isolated retrognathia, n=14 RS) affected fetuses and 252 normal fetuses were included. Their median gestational age at ultrasound examination was 23.6 and 24.1 weeks, respectively. In fetuses with isolated retrognathia and RS, the PSFR, IFA, and FPL were significantly different from the normal population. At a false-positive rate of 5%, the detection rate was 76.2% for the PFSR, 85.7% for the IFA, and 90.5% for both parameters combined. However, all parameters failed to distinguish between isolated retrognathia and RS.

Conclusion PSFR and IFA are simple markers for identifying retrognathia prenatally. However, they are not helpful for the detection of RS in fetuses with isolated retrognathia. Therefore, delivery should take place in a center experienced with RS and potentially life-threatening airway obstruction immediately after birth.
Phosphonium-Mediated Synthesis of a New Class of Indoloquinazoline Derivatives Bearing a C-12 Aryloxy Ester or Spiro-γ-lactone
Authors: Phakhodee Wong , Wiriya Nittaya , Pattarawarapan Mookda , Yimklan Saranphong , Hongsibsong Surat
Published: November 2021

Indoloquinazolines functionalized at C-12, which are structural analogs of the natural alkaloid cephalanthrin B, are readily constructed via Ph3P/I2-mediated one-pot reactions of isatins with aromatic alcohols. In the presence of excess phenols, the C-12 aryloxy ester products are obtained in moderate to good yields under mild conditions. Moreover, fused bicyclic hydroxyaryl derivatives such as 8-hydroxyquinoline give rise to novel C-12 spiro-γ-lactone derivatives. A reactive iminium cation species derived from dehydration of the C-12 hydroxy ester precursor is proposed as the transient intermediate responsible for these transformations.
Demographic, Comorbidity, and Episode of Care Trends in Primary Hip Arthroplasty: 2008 to 2018
Authors: Siddiqi Ahmed , Warren Jared A. , Barsoum Wael K. , Higuera Carlos A. , Mont Michael A. , Harwin Steven F. , Piuzzi Nicolas S.
Published: November 2021

Background While previous studies have provided insight into time-trends in age and comorbidities of total hip arthroplasty (THA) patients, there is limited recent literature from within the past decade. The implication of these findings is relevant due to the projected THA volume increase and continued emphasis on healthcare system cost-containment policies. Therefore, the purpose of this study was to identify trends in THA patient demographics, comorbidities, and episode of care from 2008 to 2018.

Methods The National Surgical Quality Improvement Program (NSQIP) was queried to identify patient demographics, comorbidities, and episodes of care outcomes in patients undergoing primary THA from 2008 to 2018 (n = 216,524). Trends were analyzed using analysis of variances for continuous variables, while categorical variables were analyzed using chi-squared or Monte Carlo tests, where applicable.

Results From 2008 to 2018, there were no clinically significant differences in age and body mass index (BMI) in patients with BMI over 40 kg/m2. However, modifiable comorbidities including patients with hypertension (60.2% in 2008, 54.3 in 2018%, p < 0.001) and anemia (19% in 2008, 11.2%, in 2016, p < 0.001) improved. Functional status and the overall morbidity probability have improved with a decrease in hospital lengths of stay (4.0 ± 2.8 days in 2008, 2.1 ± 2.2 days in 2018, p < 0.001), 30-day readmissions (4.2% in 2009, 3.3% in 2018, p < 0.001), and significant increase in home-discharges (70.1% in 2008, 87.3% in 2018, p < 0.001).

Conclusion Patient overall health status improved from 2008 to 2018. While conjectural, our findings may be a reflection of a global shift toward value-based comprehensive care centering on patient optimization prior to arthroplasty, quality-of-care, and curtailing costs by mitigating perioperative adverse events.

This study's level of evidence is III.
Ultrafast electron transfer in all-small-molecule photovoltaic blends promoted by intermolecular interactions in cyanided donors
Authors: Wang Guo-dong , Liu Zhi-xing , Qiu Bei-bei , Zhang Zhi-guo , Wang Rui , Wang Xiao-yong , Ma Jing , Li Yong-fang , Xiao Min , Zhang Chun-feng
Published: December 2021

Cyano substitution has been established as a viable approach to optimize the performance of all-small-molecule organic solar cells. However, the effect of cyano substitution on the dynamics of photo-charge generation remains largely unexplored. Here, we report an ultrafast spectroscopic study showing that electron transfer is markedly promoted by enhanced intermolecular charge-transfer interaction in all-small-molecule blends with cyanided donors. The delocalized excitations, arising from intermolecular interaction in the moiety of cyano-substituted donor, undergo ultrafast electron transfer with a lifetime of ~3 ps in the blend. In contrast, some locally excited states, surviving in the film of donor without cyano substitution, are not actively involved in the charge separation. These findings well explain the performance improvement of devices with cyanided donors, suggesting that manipulating intermolecular interaction is an efficient strategy for device optimization.
Ab initio molecular dynamics simulation of liquid water with fragment-based quantum mechanical approach under periodic boundary conditions
Authors: Liu Jinfeng , He Xiao
Published: December 2021

In this study, we investigated the structural and dynamical properties of liquid water by using ab initio molecular dynamics simulation under periodic boundary conditions based on the fragment-based quantum mechanical approach. This study was carried out using the second-order Møller-Plesset perturbation theory (MP2) with the aug-cc-pVDZ basis set, which has been validated to be sufficiently accurate for describing water interactions. Diverse properties of liquid water, including radial distribution functions, diffusion coefficient, dipole moment, triplet oxygen-oxygen-oxygen angles, and hydrogen-bond structures, were simulated. This ab initio description leads to these properties in good agreement with experimental observations. This computational approach is general and transferable, providing a comprehensive framework for ab initio predictions of properties of condensed-phase matters.
Structural and bonding properties of AlnC4−/0 (n = 2–4) clusters: Anion photoelectron spectroscopy and theoretical calculations
Authors: Zhang Chao-jiang , Yan Shuai-ting , Xu Hong-guang , Xu Xi-ling , Zheng Wei-jun
Published: December 2021

We measured the photoelectron spectra of AlnC4− (n=2-4) clusters by using size-selected anion photoelectron spectroscopy. The structures of AlnC4−/0 (n = 2–4) clusters were explored with quantum chemistry calculations and were determined by comparing the theoretical results with the experimental spectra. It is found that the most stable structure of Al2C4− anion is a C2v symmetry planar structure with two Al atoms interacting with two C2 units. In addition, Al2C4− anion also has a D∞h symmetry linear structure with two Al atoms located at the two ends of a C4 chain, which is slightly higher in energy than the planar structure. The most stable structure of neutral Al2C4 has a D∞h symmetry linear structure. The most stable structure of Al3C4− anion is a planar structure with three Al atoms interacting with two C2 units. Whereas neutral Al3C4 cluster has a C2v symmetric V-shaped bent structure. The global minima structures of both Al4C4− and neutral Al4C4 are C2h symmetry planar structures with four Al atoms interacting with the ends of two C2 units. Adaptive natural density partitioning analyses of AlnC4− (n=2−4) clusters show that the interactions between the Al atoms and C2 units have both σ and π characters.
Intra- and intermolecular rovibrational states of HCl-H2O and DCl-H2O dimers from full-dimensional and fully coupled quantum calculations
Authors: Felker Peter M. , Bačić Zlatko
Published: December 2021

We report full-dimensional and fully coupled quantum bound-state calculations of the J=1 intra- and intermolecular rovibrational states of two isotopologues of the hydrogen chloride-water dimer, HCl-H2O (HH) and DCl-H2O (DH). The present study complements our recent theoretical investigations of the J=0 nine-dimensional (9D) vibrational level structure of these and two other H/D isotopologues of this noncovalently bound molecular complex, and employs the same accurate 9D permutation invariant polynomial-neural network potential energy surface. The calculations yield all intramolecular vibrational fundamentals of the HH and DH dimers and the low-energy intermolecular rovibrational states in these intramolecular vibrational manifolds. The results are compared with those of the 9D J=0 calculations of the same dimers. The energy differences between the K=1 and K=0 eigenstates exhibit pronounced variations with the intermolecular rovibrational states, for which a qualitative explanation is provided.
Core–sheath polymer nanofiber formation by the simultaneous application of rotation and pressure in a novel purpose-designed vessel
Authors: Alenezi Hussain , Cam Muhammet Emin , Edirisinghe Mohan
Published: December 2021

Forming polymeric core–sheath nanofibers is gaining prominence owing to their numerous potential applications, most notably in functional scenarios such as antiviral filtration, which is attracting significant attention due to the current COVID pandemic. This study has successfully designed and constructed a novel pressurized gyration vessel to fabricate core–sheath polymer nanofibers. Several water-soluble and water-insoluble polymer combinations are investigated. Both polyethylene oxide and polyvinyl alcohol were used as the core while both poly(lactic acid) (PLA) and poly(caprolactone) (PCL) were used as the sheath; PLA and PCL were used as core and sheath, in different instances; respectively. The fluid behavior of the core–sheath within the vessel was studied with and without applied pressure using computational fluid dynamics to simulate the core–sheath flow within the chamber. A high-speed camera was used to observe the behavior of jetted solutions at core–sheath openings, and the best scenario was achieved using 6000 rpm spinning speed with 0.2 MPa (twice atmospheric) applied pressure. The surface morphology of core–sheath fibers was studied using a scanning electron microscope, and focused ion beam milling assisted scanning electron microscopy was used to investigate the cross-sectional features of the produced fibers. Laser confocal scanning microscopy was also used to verify the core–sheath structure of the fibers, which were further characterized by Fourier transform infrared spectroscopy and differential scanning calorimetry. Thus, using a variety of polymer combinations, we show, both theoretically and experimentally, how core–sheath fibers evolve in a vessel that can serve as a scalable manufacturing pressurized gyration production process.
The quantum mechanics of viscosity
Authors: Trachenko Kostya , Brazhkin Vadim V.
Published: December 2021

Although a liquid’s viscosity depends strongly on temperature and pressure, its minimum value is fixed by fundamental physical constants.
Conjunctions and clause linkage in Australian languages
Authors: Luk Ellison , Verstraete Jean-Christophe
Published: December 2021

This study analyses the role of conjunctions in clause linkage in Australian languages. Conjunctions are seemingly straightforward clause-linking devices, but they remain under-studied, both for Australian languages and from a broader typological perspective. In this study, we propose a functional definition of conjunctions, as set against other resources for clause linkage. We show that this captures not just the prototypical free-standing elements (the equivalents ofif,because,butetc.), but also various types of bound markers with a similar function (bound to clause-scoping positions or predicates). We survey the role of conjunctions in a representative sample of 53 Australian languages, showing that they are not a marginal clause linkage resource in Australia, as seems to be assumed in the relevant literature, but often form a major category within clause linkage systems. We also identify a number of areal patterns, based on the size of conjunction inventories and their morphosyntactic features.
Power Efficient Bit Lines: A Succinct Study
Authors: Bhaskara Veeraveni J. , Devi Bhawani K.
Published: November 2021

Reducing the consumption of power in VLSI circuits is challenging. A low power circuit in multi-port memories for power consumption reduction in bit lines is presented here. In this circuit the power of wide gates used in memory bit lines is decreased by reducing the voltage swing of the pull-down network. Wide gates were simulated and the results showed 40% lower power consumption. Processors are another component where power dissipation is high. Various methods are used to decrease the power dissipation. A number of methods reduce bus transitions to limit the power dissipation.
A review on sustainable production of graphene and related life cycle assessment
Authors: Munuera J , Britnell L , Santoro C , Cuéllar-Franca R , Casiraghi C
Published: December 2021

Advanced materials such as graphene and the family of two-dimensional crystals are very attractive because of the myriad of applications that could be developed based on their outstanding properties. However, as soon as material development reaches enough maturity for production to be scaled up and to enter the market within products, it is crucial to place the technology in the context of possible risks to economic well-being, social equity and environmental harm. This review aims at highlighting the current state of art on sustainable development of graphene-related materials and related environmental impact assessment studies using life cycle assessment (LCA). We show that sustainable development has focused mostly on the use of waste or low cost materials as precursors. However, the findings from relevant LCA studies reveals the limits of this approach, which does not take into account that waste recycling is often very energy intensive. We provide an overview on the life cycle environmental impact assessment, with a focus on global warming potential and energy demand, carried out on different graphene productions methods for specific applications, ranging from composites to electronics. Finally, an outlook is given focussing on the comparison of the different production routes and the results from the LCA.
Tunable physical properties of Al-doped ZnO thin films by O2 and Ar plasma treatments
Authors: Joo Young-Hee , Um Doo-Seung , Kim Chang-Il
Published: December 2021

Al-doped ZnO (AZO) is a promising transparent conducting oxide that can replace indium tin oxide (ITO) owing to its excellent flexibility and eco-friendly characteristics. However, it is difficult to immediately replace ITO with AZO because of the difference in their physical properties. Here, we study the changes in the physical properties of AZO thin films using Ar and O2 plasma treatments. Ar plasma treatment causes the changes in the surface and physical properties of the AZO thin film. The surface roughness of the AZO thin film decreases, the work function and bandgap slightly increase, and the sheet resistance significantly decreases. In contrast, a large work function change is observed in the AZO thin film treated with O2 plasma; however, the change in other characteristics is not significant. Therefore, the results indicate that post-treatment using plasma can accelerate the development of high-performance transparent devices.
Partial structure factors derived from coarse-grained phase-separation dynamics on a disordered lattice with density fluctuations
Authors: Sutipanya Puwadet , Arai Takashi
Published: December 2021

The simplest and most time-efficient phase-separation dynamics simulations are carried out on a disordered lattice to calculate the partial structure factors of coarse-grained A-B binary mixtures. The typical coarse-grained phase-separation models use regular lattices and can describe the local concentrations but cannot describe both local density and concentration fluctuations. To introduce fluctuation for local density in the model, the particle positions from a hard sphere fluid model are determined as disordered lattice points for the model. Then we place the local order parameter as the difference of the concentrations of A and B components on each lattice point. The concentration at each lattice point is time-evolved by discrete equations derived from the Cahn-Hilliard equation. From both fluctuations, Bhatia and Thornton’s structure factor can be accurately calculated. The structure factor for concentration fluctuations at the large wavenumber region gives us the correct mean concentrations of the components. Using the mean concentrations, partial structure factors can be converted from three of Bhatia and Thornton’s structure factors. The present model and procedures can provide a means of analysing the structural properties of many materials that exhibit complex morphological changes.
Calibrated uncertainty for molecular property prediction using ensembles of message passing neural networks
Authors: Busk Jonas , Bjørn Jørgensen Peter , Bhowmik Arghya , Schmidt Mikkel N , Winther Ole , Vegge Tejs
Published: December 2021

Data-driven methods based on machine learning have the potential to accelerate computational analysis of atomic structures. In this context, reliable uncertainty estimates are important for assessing confidence in predictions and enabling decision making. However, machine learning models can produce badly calibrated uncertainty estimates and it is therefore crucial to detect and handle uncertainty carefully. In this work we extend a message passing neural network designed specifically for predicting properties of molecules and materials with a calibrated probabilistic predictive distribution. The method presented in this paper differs from previous work by considering both aleatoric and epistemic uncertainty in a unified framework, and by recalibrating the predictive distribution on unseen data. Through computer experiments, we show that our approach results in accurate models for predicting molecular formation energies with well calibrated uncertainty in and out of the training data distribution on two public molecular benchmark datasets, QM9 and PC9. The proposed method provides a general framework for training and evaluating neural network ensemble models that are able to produce accurate predictions of properties of molecules with well calibrated uncertainty estimates.
Practical implementation of remote continuous glucose monitoring in hospitalized patients with diabetes
Authors: Baker Matt , Musselman Megan E , Rogers Rachel , Hellman Richard
Published: December 2021

Purpose

Inpatient diabetes management involves frequent assessment of glucose levels for treatment decisions. Here we describe a program for inpatient real-time continuous glucose monitoring (rtCGM) at a community hospital and the accuracy of rtCGM-based glucose estimates.

Methods

Adult inpatients with preexisting diabetes managed with intensive insulin therapy and a diagnosis of coronavirus disease 2019 (COVID-19) were monitored via rtCGM for safety. An rtCGM system transmitted glucose concentration and trending information at 5-minute intervals to nearby smartphones, which relayed the data to a centralized monitoring station. Hypoglycemia alerts were triggered by rtCGM values of ≤85 mg/dL, but rtCGM data were otherwise not used in management decisions; insulin dosing adjustments were based on blood glucose values measured via fingerstick blood sampling. Accuracy was evaluated retrospectively by comparing rtCGM values to contemporaneous point-of-care (POC) blood glucose values.

Results

A total of 238 pairs of rtCGM and POC data points from 10 patients showed an overall mean absolute relative difference (MARD) of 10.3%. Clarke error grid analysis showed 99.2% of points in the clinically acceptable range, and surveillance error grid analysis showed 89.1% of points in the lowest risk category. It was determined that for 25% of the rtCGM values, discordances in rtCGM and POC values would likely have resulted in different insulin doses. Insulin dose recommendations based on rtCGM values differed by 1 to 3 units from POC-based recommendations.

Conclusion

rtCGM for inpatient diabetes monitoring is feasible. Evaluation of individual rtCGM-POC paired values suggested that using rtCGM data for management decisions poses minimal risks to patients. Further studies to establish the safety and cost implications of using rtCGM data for inpatient diabetes management decisions are warranted.