bluuebunny/crossref_metadata_2025_split huggingface dataset:
A General Access Route to High‐Nuclearity, Metal‐Functionalized Molecular Vanadium Oxides
Authors: Greiner Simon , Hettig Jan , Laws Alec , Baumgärtner Katharina , Bustos Jenna , Pöppler Ann‐Christin , Clark Adam H. , Nyman May , Streb Carsten , Anjass Montaha 
Published: December 2021

AbstractMolecular metal oxides are key materials in diverse fields like energy storage and conversion, molecular magnetism and as model systems for solid‐state metal oxides. To improve their performance and increase the variety of accessible motifs, new synthetic approaches are necessary. Herein, we report a universal, new precursor to access different metal‐functionalized polyoxovanadate (POV) clusters. The precursor is synthesized by a novel solid‐state thermal treatment procedure. Solution‐phase test reactions at room temperature and pressure show that reaction of the precursor with various metal nitrate salts gives access to a range of metal‐functionalized POVs. The first nitrate‐templated molecular calcium vanadate cluster is reported. We show that this precursor could open new access routes to POV components for molecular magnetism, energy technologies or catalysis.
A Chemoenzymatic Cascade Combining a Hydration Catalyst with an Amine Dehydrogenase: Synthesis of Chiral Amines
Authors: Chang Fengwei , Wang Chengyi , Chen Qipeng , Zhang Yongjin , Liu Guohua 
Published: December 2021

AbstractThe combination of biocatalysis and transition‐metal catalysis can complement synthetic gaps only in a chemical or biological process. However, the intrinsic mutual deactivation between enzymatic and chemical species is a significant challenge in a single operation. To address the above issue, we developed an encapsulated Au/carbene combined with a free amine dehydrogenase as a co‐catalyst system that enables an efficient hydration/amination enantioselective cascade process to be accomplished. The mechanistic investigation discloses dual catalysis comprised of alkyne hydration, followed by a reductive amination process.
A Chemical Biology Toolbox Targeting the Intracellular Binding Site of CCR9: Fluorescent Ligands, New Drug Leads and PROTACs
Authors: Huber Max E. , Toy Lara , Schmidt Maximilian F. , Vogt Hannah , Budzinski Julian , Wiefhoff Martin F. J. , Merten Nicole , Kostenis Evi , Weikert Dorothee , Schiedel Matthias 
Published: December 2021

AbstractA conserved intracellular allosteric binding site (IABS) has recently been identified at several G protein‐coupled receptors (GPCRs). Starting from vercirnon, an intracellular C−C chemokine receptor type 9 (CCR9) antagonist and previous phase III clinical candidate for the treatment of Crohn's disease, we developed a chemical biology toolbox targeting the IABS of CCR9. We first synthesized a fluorescent ligand enabling equilibrium and kinetic binding studies via NanoBRET as well as fluorescence microscopy. Applying this molecular tool in a membrane‐based setup and in living cells, we discovered a 4‐aminopyrimidine analogue as a new intracellular CCR9 antagonist with improved affinity. To chemically induce CCR9 degradation, we then developed the first PROTAC targeting the IABS of GPCRs. In a proof‐of‐principle study, we succeeded in showing that our CCR9‐PROTAC is able to reduce CCR9 levels, thereby offering an unprecedented approach to modulate GPCR activity.
Modified thermal‐ and sound‐absorption properties of plaster sandwich panels with natural rubber‐latex compounds for building construction
Authors: Pianklang Sompratthana , Muntongkaw Sarun , Tangboriboon Nuchnapa 
Published: December 2021

AbstractNatural rubber‐latex compounds were embedded with glass fibers as a sandwich layer to modify the thermal‐ and sound‐absorption properties of plaster sandwich‐panel composites by casting. The physical, thermal, mechanical, and sound‐absorption properties of the composites were compared to those of the commercial gypsum ceiling according to the American Society for Testing and Materials and Thai Industrial Standards. The optimum sample was a plaster sandwich‐panel composite with 20 wt% natural rubber‐latex compounds, 10 wt% NaHCO3, and 10 wt% tissue paper (PN0‐2010‐10). It exhibited low‐bulk density (0.7504 g/cm3), low‐thermal conductivity (0.0775 ± 0.0005 W/m.K), good noise‐reduction coefficient (NRC) (0.2142), and a high percentage of sound‐absorption coefficient (56.02%) at a low frequency of 500 Hz. On the other hand, the reference sample (P0‐0‐0) exhibited high‐bulk density (1.1363 g/cm3), high‐thermal conductivity (0.3387 ± 0.0003 W/m.K), low NRC (0.1381), and a low percentage of sound‐absorption coefficient (10.07%) at a low frequency of 500 Hz. Therefore, the obtained plaster sandwich‐panel composites are promising as building materials for the protective and decorative coating of walls and ceilings.
Assessing foraging variability on small islands in Manu‘a (American Samoa) during the first millennium BC
Authors: LAMBRIDES ARIANA B.J. , WEISLER MARSHALL I. , CLARK JEFFREY T. , QUINTUS SETH , WORTHY TREVOR H. , BUCKLEY HALLIE 
Published: December 2021

ABSTRACTSmall islands are important model systems for examining the role of people in shaping novel environments and modifying resources through time. Here we report on the vertebrate faunal assemblages recovered from two sites on Ofu and Olosega islands (American Samoa), which were occupied only a few centuries after the initial settlement of the islands. We assess forager decision‐making both locally and regionally as well as changing subsistence regimes. Our results suggest foraging efforts were focused on the marine environment, particularly fish, but with concomitant evidence for interactions with terrestrial habitats (e.g. seabirds) including the introduction of commensal species (i.e. red junglefowl and Pacific rat). Notably we documented a high degree of similarity between the fish species reported archaeologically and those targeted by modern subsistence fishers in the region, which is despite the occurrence of wide scale coastal landscape changes over the past several thousand years. These preliminary outcomes may suggest fish resources have remained stable through initial occupation to the present‐day, but future zooarchaeological research is required to comprehensively evaluate the sustainability of the marine fishery over the past several millennia.
Time scale reachability and controllability of time‐varying linear systems
Authors: Ben Nasser Bacem , Djemai Mohamed , Defoort Michael , Laleg‐Kirati Taous‐Meriem 
Published: December 2021

AbstractIn this paper, we investigate the analysis of reachability and controllability for time‐varying linear systems evolving on nonuniform time domains also known as arbitrary time scales. Based on appropriate operators, some necessary and sufficient conditions are derived to guarantee the reachability for this class of systems using linear algebra tools. Furthermore, a link between optimality and the proposed operators is given. Then, the connection between reachability and controllability analysis on arbitrary time scales is discussed. Through the paper, some examples illustrate the theoretical results.
Pareto optimum design of an adaptive robust backstepping controller for an unmanned aerial vehicle
Authors: Mahmoodabadi Mohammad Javad , Babak Nima Rezaee 
Published: December 2021

AbstractThis research develops an adaptive robust backstepping (AR‐backstepping) controller for stabilization of an unmanned aerial vehicle (UAV) having strong coupling and highly nonlinear dynamics. At first, the backstepping control method as the basic stabilizer is utilized to determine the control efforts of the considered UAV. Next, an adaptive‐robust mechanism subject to gradient decent methods and sliding surfaces is implemented to regulate the control gains. In fact, this mechanism determines the speed of changes of the gain values of the backstepping controller to make better responses in the presence of disturbances and uncertainties. Then, the optimum values of the design parameters related to the adaptive‐robust mechanism are selected by using a multi‐objective ant‐lion optimization (MOALO) algorithm to simultaneously minimize the total error and control efforts. Finally, the results for a UAV developed in the Sirjan University of Technology, Sirjan, Iran, are given to confirm the effectiveness, robustness, and advantages of the designed AR‐backstepping controller.
Cultural differences in social communication and interaction: A gap in autism research
Authors: Golson Megan E. , Ficklin Erica , Haverkamp Cassity R. , McClain Maryellen Brunson , Harris Bryn 
Published: December 2021

AbstractSocial communication and interaction deficits are a diagnostic criteria of autism and integral to practitioner and researcher conceptualization. Culture is an influential factor in expectations for, and demonstration of, social communication and interaction skills, but there is limited research published in autism journals on this topic. This paucity of autism research examining cultural factors related to social communication and interaction may contribute to known identification disparities for racial and ethnic populations minoritized by systemic factors and research bias. We call for increased commitment from researchers to recruit racially and ethnically minoritized participants, prioritize investigating cultural expectations and perceptions of social communication and interaction, and evaluate measures related to social communication for cultural and linguistic responsivity.Lay SummaryA diagnosis of autism requires the presence of deficits in social communication and interaction. Examples of these behaviors and skills include holding a back‐and‐forth conversation, the use of nonverbal communicative behaviors (e.g., gestures), and developing and maintaining social relationships. Culture influences the expectations for, and presentation of, these behaviors. However, research on this topic is lacking. Conducting more research related to culture and social communication could help reduce the disparities in autism identification across racially and ethnically minoritized populations.
Co‐occurrence of congenital anomalies by maternal race/ethnicity among infants and fetuses with Down syndrome, 2013–2017: A U.S. population‐based analysis
Authors: Stallings Erin B. , Isenburg Jennifer L. , Heinke Dominique , Sherman Stephanie L. , Kirby Russell S. , Lupo Philip J. ,   for the National Birth Defects Prevention Network
Published: December 2021

AbstractBackgroundIndividuals with Down syndrome (DS) have a higher prevalence of additional congenital anomalies, especially cardiovascular defects, compared to the general population. Several reports have indicated that the prevalence of DS among live births varies by race and ethnicity within the United States. We aim to examine variations in co‐occurring congenital anomalies by maternal race/ethnicity among infants and fetuses diagnosed with DS born during 2013–2017.MethodsState birth defect surveillance systems (N = 12) submitted data on infants and fetuses diagnosed with DS born during 2013–2017. We calculated the prevalence of co‐occurring major and minor congenital anomalies, by organ system, and four selected cardiovascular birth defects, all stratified by maternal race/ethnicity.ResultsAmong 5,836 cases of DS, 79.7% had one or more co‐occurring congenital anomalies. There was a higher percentage of co‐occurring congenital anomalies among infants and fetuses born to Hispanic mothers. The lowest percentage of co‐occurring congenital anomalies, including three out of the four individual cardiovascular conditions examined, was among infants/fetuses born to non‐Hispanic American Indian/Alaska Native mothers.ConclusionsWe describe differences in DS co‐occurrence with additional congenital anomalies among maternal racial/ethnic groups. These data may help focus future research on differences among racial/ethnic groups in the diagnosis and reporting of co‐occurring congenital anomalies in infants/fetuses diagnosed with DS.
Virus filtration: A review of current and future practices in bioprocessing
Authors: Johnson Sarah A. , Chen Shuang , Bolton Glen , Chen Qi , Lute Scott , Fisher John , Brorson Kurt 
Published: December 2021

AbstractFor drug products manufactured in mammalian cells, safety assurance practices are needed during production to assure that the final medicinal product is safe from the potential risk of viral contamination. Virus filters provide viral retention for a range of viruses through robust, largely size‐based retention mechanism. Therefore, a virus filtration step is commonly utilized in a well‐designed recombinant therapeutic protein purification process and is a key component in an overall strategy to minimize the risks of adventitious and endogenous viral particles during the manufacturing of biotechnology products. This study summarizes the history of virus filtration, currently available virus filters and prefilters, and virus filtration integrity test methods and study models. There is also discussion of current understanding and gaps with an eye toward future trends and emerging filtration technologies.
Device for respiration activity measurement enables the determination of oxygen transfer rates of microbial cultures in shaken 96‐deepwell microtiter plates
Authors: Dinger Robert , Lattermann Clemens , Flitsch David , Fischer Jan P. , Kosfeld Udo , Büchs Jochen 
Published: December 2021

AbstractMini‐bioreactors with integrated online monitoring capabilities are well established in the early stages of process development. Mini‐bioreactors fulfil the demand for high‐throughput‐applications and a simultaneous reduction of material costs and total experimental time. One of the most essential online monitored parameters is the oxygen transfer rate (OTR). OTR‐monitoring allows fast characterization of bioprocesses and process transfer to larger scales. Currently, OTR‐monitoring on a small‐scale is limited to shake flasks and 48‐well microtiter plates (MTP). Especially, 96‐deepwell MTP are used for high‐throughput‐experiments during early‐stage bioprocess development. However, a device for OTR monitoring in 96‐deepwell MTP is still not available. To determine OTR values, the measurement of the gas composition in each well of a MTP is necessary. Therefore, a new micro(µ)‐scale Transfer rate Online Measurement device (µTOM) was developed. The µTOM includes 96 parallel oxygen‐sensitive sensors and a single robust sealing mechanism. Different organisms (Escherichia coli, Hansenula polymorpha, and Ustilago maydis) were cultivated in the µTOM. The measurement precision for 96 parallel cultivations was 0.21 mmol·L−1·h−1 (pooled standard deviation). In total, a more than 15‐fold increase in throughput and an up to a 50‐fold decrease in media consumption, compared with the shake flask RAMOS‐technology, was achieved using the µTOM for OTR‐monitoring.
Engineering a Carbonyl Reductase for Scalable Preparation of (S)‐3‐Cyclopentyl‐3‐hydroxypropanenitrile, the Key Building Block of Ruxolitinib
Authors: Cui Yunfeng , Zhu Liangyan , Chen Xi , Feng Jinhui , Wu Qiaqing , Zhu Dunming 
Published: December 2021

Abstract(S)‐3‐Cyclopentyl‐3‐hydroxypropanenitrile is the key precursor for the synthesis of ruxolitinib. The bioreduction of 3‐cyclopentyl‐3‐ketopropanenitrile (1 a) offers an attractive method to access this important compound. A carbonyl reductase (PhADH) from Paraburkholderia hospita catalyzed the reduction of 1 a giving the (S)‐alcohol (1 b) with 85 % ee. Rational engineering of PhADH resulted in a double mutant H93C/A139L, which enhanced the enantioselectivity from 85 % to >98 %, as well as a 6.3‐fold improvement in the specific activity. The bioreduction of 1 a was performed at 200 g/L (1.5 M) substrate concentration, leading to isolation of (S)‐1 b in 91 % yield. Similarly, using this mutant enzyme, 3‐cyclohexyl‐3‐ketopropanenitrile (2 a) and 3‐phenyl‐3‐ketopropanenitrile (3 a) were reduced at high concentration affording the corresponding alcohols in >99 % ee, and 90 % and 92 % yield, respectively. The results showed that the variant H93C/A139L was a powerful biocatalyst for reduction of β‐substituted‐β‐ketonitriles.
Molecular mechanisms of N‐acyl homoserine lactone signals perception by plants
Authors: Babenko Lidia M. , Kosakivska Iryna V. , Romanenko Кateryna О. 
Published: December 2021

AbstractN‐acyl homoserine lactones (AHLs) belong to the class of bacterial quorum sensing signal molecules involved in distance signal transduction between Gram‐negative bacteria colonizers of the rhizosphere, as well as bacteria and plants. AHLs synchronize the activity of genes from individual cells, allowing the bacterial population to act as a multicellular organism, and establish a symbiotic or antagonistic relationship with the host plant. Although the effect of AHLs on plants has been studied for more than ten years, the mechanisms of plant perception of AHL signals are not fully understood. The specificity of the reactions caused by AHL indicates the existence of appropriate mechanisms for their perception by plants. In the current review, we summarize available data on the molecular mechanisms of AHL‐signal perception in plants, its effect on plant growth, development, and stress resistance. We describe the latest research demonstrating direct (on plants) and indirect (on rhizosphere microflora) effects of AHLs, as well as the prospects of using these compounds in biotechnology to increase plant resistance to biotic and abiotic stresses.
Incidentally detected atrioventricular septal defect in an adult
Authors: Shimbori Risa , Takaki Jun , Hosoda Yasuhito , Okamoto Ken , Fukae Koji , Fukui Toshihiro 
Published: December 2021

AbstractA 34‐year‐old woman, a liver transplantation donor for her son, was referred to our hospital for preoperative evaluation. She was diagnosed with an incomplete atrioventricular septal defect (AVSD). She underwent double valve repair and patch closure of the defect. Incidental discovery of an asymptomatic AVSD in an adult is rare.
Towards Developing a Screening Strategy for Ecstasy: Revealing the Electrochemical Profile
Authors: Thiruvottriyur Shanmugam Saranya , Van Echelpoel Robin , Boeye Griet , Eliaerts Joy , Samanipour Mohammad , Ching H. Y. Vincent , Florea Anca , Van Doorslaer Sabine , Van Durme Filip , Samyn Nele , Parrilla Marc , De Wael Karolien 
Published: December 2021

AbstractThis article describes the development of an electrochemical screening strategy for 3,4‐methylenedioxymethamphetamine (MDMA), the regular psychoactive compound in ecstasy (XTC) pills. We have investigated the specific electrochemical profile of MDMA and its electro‐oxidation mechanisms at disposable graphite screen‐printed electrodes. We have proved that the formation of a radical cation and subsequent reactions are indeed responsible for the electrode surface passivation, as evidenced by using electron paramagnetic resonance spectroscopy and electrochemistry. Thereafter, pure cutting agents and MDMA as well as simulated binary mixtures of compounds with MDMA were subjected to square wave voltammetry at pH 7 to understand the characteristic electrochemical profile. An additional measurement at pH 12 was able to resolve false positives and negatives occurring at pH 7. Finally, validation of the screening strategy was done by measuring a set of ecstasy street samples. Overall, our proposed electrochemical screening strategy has been demonstrated for the rapid, sensitive, and selective detection of MDMA, resolving most of the false positives and negatives given by the traditional Marquis color tests, thus exhibiting remarkable promises for the on‐site screening of MDMA.
Albrecht Kossel und die Nukleinbasen
Authors: Framm Edith , Framm Joachim 
Published: December 2021

ZusammenfassungDas 21. Jahrhundert wird bereits als das Zeitalter der Genetik bezeichnet. Tiefgreifende gesellschaftliche Veränderungen sind zu erwarten. Mit dieser Entwicklung sind viele berühmte Namen verbunden. Doch Albrecht Kossel, der die bedeutungsvollen Bausteine der Nukleinsäure entdeckt und erstmalig charakterisiert hat, ist wenig bekannt. Er erhielt 1910 den Nobelpreis, geriet später in Vergessenheit. Mehr als vier Jahrzehnte vergingen, bis man verstand, dass es die Kosselschen Nukleinbasen Adenin, Guanin, Thymin und Cytosin sind, die in der DNA die Erbinformation kodieren. Es ist das Anliegen, Leben und Werk Albrecht Kossels zu beschreiben und die Erinnerung an diesen herausragenden Biochemiker zu fördern. Seine große Persönlichkeit ragt vorbildhaft in die Gegenwart hinein.
Edge intelligence‐enabled dynamic overlapping community discovery and evolution prediction in social media data streams
Authors: Ge Jun , Shi Lei‐lei , Liu Lu , Shi Hongwei , Panneerselvam John 
Published: December 2021

AbstractEdge intelligence (EI) is recognized by academia and industry as one of the key emerging technologies for future cyber‐physical‐social systems (CPSS), which provides the ability to analyze data at edge rather than sending it to the cloud for analysis, and will be a key enabler to realize a world of a trillion hyper‐connected smart sensing devices. As a part of future CPSS, online social networks are large‐scale complex networks that consist of a large number of network nodes and links. The dynamic discovery of communities, especially overlapping communities, is important to understand the evolution of online social networks. However, traditional community discovery algorithms cannot effectively discover overlapping communities in social networks. In order to address this challenge, an edge intelligence‐enabled dynamic overlapping community discovery and evolution prediction model (EIDEP) is proposed in this article. This model encompasses a label propagation algorithm based extension (LPAE) algorithm, which is able to efficiently discover the user community structures in online social networks. Based on the LPAE community discovery algorithm, a user interest behavior based evolution prediction (UIBEP) algorithm is incorporated in our EIDEP model in order to realize a fast yet accurate community evolution for online social networks, by considering the interest similarity of unlinked nodes in a given community. The performance of our proposed LPAE and UIBEP models is validated and evaluated against notable state‐of‐the‐art community discovery algorithms, through extensive experiments conducted based on a Twitter dataset.
Selective counter design in quantum‐dot cellular automata nanotechnology
Authors: Amirzadeh Zaman , Gholami Mohammad 
Published: December 2021

AbstractIn this article novel counters based on quantum‐dot cellular automata (QCA) nanotechnology is designed. To have proper counter design, first new D flip‐flop with appropriate number of cells, area and delay is designed. Then, this flip‐flop is changed to have flip‐flop with set and reset abilities. Therefore, the proposed flip‐flop is used to design selective counters which can count for example from 0–5 or 2–5. However, in this article, compared to the best designs of the past works the number of cells, cross‐sectional area and delay are reduced by 3.57%, 18.18%, and 25% in counting 0–7 and the cell and cross‐sectional area are reduced by 46.88% and 52.17% in counting 0–5. In addition, in counter which can count from 0–7, the total and average energies are improved about 22.3% and 21.83% respectively. Also, for counters which counts from 0–5, the total and average energy dissipation has been improved about 53.01% and 53.08% respectively. It should be noted that the proposed selective counter in QCA technology which counts from 2 to 5 (both lower and upper values are different form 0 and 2n−1) is firstly designed in this article. The proposed designs have few number of cells, small occupied area and low delay. Simulation results prove the theoretical anticipation.