bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thiamyxins: Structure and Biosynthesis of Myxobacterial RNA‐Virus Inhibitors**
Authors: Haack Patrick A. , Harmrolfs Kirsten , Bader Chantal D. , Garcia Ronald , Gunesch Antonia P. , Haid Sibylle , Popoff Alexander , Voltz Alexander , Kim Heeyoung , Bartenschlager Ralf , Pietschmann Thomas , Müller Rolf 
Published: October 2022

AbstractDuring our search for novel myxobacterial natural products, we discovered the thiamyxins: thiazole‐ and thiazoline‐rich non‐ribosomal peptide‐polyketide hybrids with potent antiviral activity. We isolated four congeners of this unprecedented natural product family with the non‐cyclized thiamyxin D fused to a glycerol unit at the C‐terminus. Alongside their structure elucidation, we present a concise biosynthesis model based on biosynthetic gene cluster analysis and isotopically labelled precursor feeding. We report incorporation of a 2‐(hydroxymethyl)‐4‐methylpent‐3‐enoic acid moiety by a GCN5‐related N‐acetyltransferase‐like decarboxylase domain featuring polyketide synthase. The thiamyxins show potent inhibition of RNA viruses in cell culture models of corona, zika and dengue virus infection. Their potency up to a half maximal inhibitory concentration of 560 nM combined with milder cytotoxic effects on human cell lines indicate the potential for further development of the thiamyxins.
Positively charged modification of commercial nanofiltration membrane to enhance the separation of mono−/divalent cation
Authors: Zhang Xue , Li Fuzhi , Liu Mingqiao , Zhu Chenyu , Zhao Xuan 
Published: October 2022

AbstractThe separation efficiency of mono−/divalent cations by a commercial nanofiltration membrane can be enhanced by increasing the surface positive charge. In this study, a novel surface grafting method was suggested, including activation with 2‐chloro‐1‐methyliodopyridine (CMPI), and sequent graft polyethylene‐imine (PEI) and 2,3‐epoxypropyltrimethylammonium chloride (EPTAC). Less flux reduction (<30%) and higher separation factor of Mg2+/Na+ (8.03–9.77) was achieved with the modified membrane under the grafting condition of 0.05 wt% CMPI, 2 wt% PEI, and 1 wt% EPTAC. The modified membranes had higher surface positive charge, hydrophilicity and cross‐linking degree. During the 32‐h filtration of a mixed salt solution, the modified membranes showed larger permeance (>11 L m−2 h−1 bar−1) and higher ion selectivity than the pristine membrane, with separation factors of Mg2+/Na+ and Mg2+/Li+ ranging 36.3–46.2 for the modified membranes. The modified membranes also have higher antifouling properties and are more stable at higher pH condition. The results demonstrate a facile and scalable surface modification method to improve the cation selectivity of commercial NF membranes, which shows great potential in the application of mono−/divalent ion separation.
Influence of variable‐stiffness layup configuration on curing deformation of curved‐surface structures
Authors: Niu Xuejuan , Yao Yan 
Published: October 2022

AbstractAccurate prediction the curing‐induced deformation is the key to the fabrication of high‐quality composite structures. Aiming at controlling shape distortion of curved‐surface parts during curing process, a layup optimization strategy is proposed based on a variable stiffness (VS) placement method, which uses geodesic curves as fiber‐tow paths. Taking an offset parabolic antenna reflector (PAR) for example, chemical shrinkage and thermal deformation of curved‐surface composites during the curing process and after demolding are modeled. By combining Fourier heat conduction theory, curing kinetics, and generalized Maxwell viscoelastic model, the interactions between chemical cross‐link reaction, heat transfer, and mechanical deformation are taken into account. By comparing the deformation characteristics of VS and traditional constant stiffness structures, the proposed simulation strategy of curing process for composites can predict the factors that influence the curing deformation of VS structures are analyzed. The results show that the maximum of VS PAR decreases by 11.02%, and the average magnitude decreases by 32.35%.
A model of spatial location: New data for the Gor River megalithic landscape (Spain) from LiDAR technology and field survey
Authors: Cabrero‐González Carolina , Garrido‐Almonacid Antonio , Esquivel Francisco Javier , Cámara‐Serrano Juan Antonio 
Published: October 2022

AbstractThe megalithic cluster of the Gor River valley (Andalusia, Spain) is one of the biggest dolmenic groups in Europe, made up of 151 preserved megaliths. In spite of this high number of known monuments, increasing loss and destruction of many of the graves has taken place during the last decades due to enormous soil erosion and anthropogenic activities. With the aim of recording the location of these lost megaliths, Digital Terrain Models and LiDAR data have been used to analyse the terrain showing a high quantity of structures that seem similar to those actually documented in the zone but that were not noticed until now. These possible new burial mounds have been tested by archaeological surface survey, choosing three contrasting areas as samples. Results have shown a high success rate for this methodology, even allowing the discovery of new megalithic graves in heavily researched areas. We interpret the likely higher number of burial mounds in the area to indicate greater territorial control in boundary areas between 4th and 3rd millennium BC.
Meiotic defects in human oocytes: Potential causes and clinical implications
Authors: Wu Tianyu , Gu Hao , Luo Yuxi , Wang Lei , Sang Qing 
Published: October 2022

AbstractMeiotic defects cause abnormal chromosome segregation leading to aneuploidy in mammalian oocytes. Chromosome segregation is particularly error‐prone in human oocytes, but the mechanisms behind such errors remain unclear. To explain the frequent chromosome segregation errors, recent investigations have identified multiple meiotic defects and explained how these defects occur in female meiosis. In particular, we review the causes of cohesin exhaustion, leaky spindle assembly checkpoint (SAC), inherently unstable meiotic spindle, fragmented kinetochores or centromeres, abnormal aurora kinases (AURK), and clinical genetic variants in human oocytes. We mainly focus on meiotic defects in human oocytes, but also refer to the potential defects of female meiosis in mouse models.
Recent advances in enzymatic biosensors for point‐of‐care detection of biomolecules
Authors: Gupta Upasana , Gupta Verruchi , Arun Ravi Kumar , Chanda Nripen 
Published: October 2022

AbstractLate state‐of‐the‐art analytical methodologies in chromatography, spectroscopy, and electroanalysis have been developed to meet the challenges of changing environmental and health issues. The modern trends in developing new protocols emphasize economic, portable, nano, or even smaller sample sizes and less time‐consuming processes. This has led to the development of technology‐based biosensors which meet most of the above requirements. The lab‐on‐chip technology exploiting enzyme‐based biosensors has made the analytical processes very efficient, accurate, affordable, and requiring nano‐scale sample sizes. In this review, an attempt is being made to review the literature based on state‐of‐the‐art technology of enzyme‐based biosensors for the detection of biomolecules.
Implications of estrogen and its receptors in colorectal carcinoma
Authors: Das Plabon Kumar , Saha Joti , Pillai Suja , Lam Alfred K.‐Y. , Gopalan Vinod , Islam Farhadul 
Published: October 2022

AbstractEstrogens have been implicated in the pathogenesis of various cancer types, including colorectal carcinoma (CRC). Estrogen receptors such as ERα and ERβ activate intracellular signaling cascades followed by binding to estrogen, resulting in important changes in cellular behaviors. The nuclear estrogen receptors, i.e. ERβ and ERα are responsible for the genomic actions of estrogens, whereas the other receptor, such as G protein‐coupled estrogen receptor (GPER) regulates rapid non‐genomic actions, which lead to secondary gene expression changes in cells. ERβ, the predominant estrogen receptor expressed in both normal and non‐malignant colonic epithelium, has protective roles in colon carcinogenesis. ERβ may exert the anti‐tumor effect through selective activation of pro‐apoptotic signaling, increasing DNA repair, inhibiting expression of oncogenes, regulating cell cycle progression, and also by changing the micro‐RNA pool and DNA‐methylation. Thus, a better understanding of the underlying mechanisms of estrogen and its receptors in CRC pathogenesis could provide a new horizon for effective therapeutic development. Furthermore, using synthetic or natural compounds as ER agonists may induce estrogen‐mediated anti‐cancer activities against colon cancer. In this study, we report the most recent pre‐clinical and experimental evidences related to ERs in CRC development. Also, we reviewed the actions of naturally occurring and synthetic compounds, which have a protective role against CRC development by acting as ER agonist.
Chemical Constituents of Cyperus esculentus Leaves and the Protective Effect against Agricultural Fungicide‐Induced Hepatotoxicity
Authors: Ma Jiannan , Feng Xu , Meng Haocong , Ma Yue , Zhang Xiangqian , Zhang Dejian , Lu Zhanyuan , Xu Haiyan , Ma Chaomei 
Published: October 2022

AbstractCyperus esculentus is cultivated as a crop plant due to its edible and oily tubers (tiger nut). However, little is known about the phytochemicals and bioeffects of the leaves. This study was conducted to identify and quantify the chemical constituents of C. esculentus leaves and evaluate their bioactivities. By liquid chromatography‐mass spectrometry, 30 compounds including flavan‐3‐ols, caffeic acid derivatives, and flavones, were identified from the leaves. The quantitative analysis revealed that gallocatechin (8), procyanidin B1 (15), catechin (16), chlorogenic acid (19), orientin (30), and luteolin 7‐O‐glucuronide (31) are the major chemical constituents of C. esculentus leaves. The contents of these six chemical constituents in the leaves collected in September in Hohhot, China, reached to 1460.85±7.66, 10178.77±302.65, 1048.35±17.37, 1722.15±26.13, 5318.62±277.16, and 1526.54±11.95 μg, respectively, in one gram of the dried leaves. The leaf extract (CELE) showed strong antioxidant activity in vitro, with compounds 8, 15, and 19 contributing the most. CELE showed significant protection against the agricultural fungicide tebuconazole‐induced developmental toxicity and hepatotoxicity in zebrafish.
Dynamics of metabolism and regulation of epigenetics during cardiomyocytes maturation
Authors: Hayat Rabia 
Published: October 2022

AbstractMaturation is the last step of heart growth that prepares the organ over the lifetime of the mammal for powerful, effective, and sustained pumping. Structural, gene expression, physiological, and functional specialties of cardiomyocytes describe this mechanism as the heart transits from fetus to adult phases. The main cornerstones of maturation of cardiomyocytes are reviewed and primary regulatory mechanisms are summarized to facilitate and organize these cellular activities. During embryonic development, cardiomyocytes proliferate rigorously but leave the cell cycle permanently immediately after the parturition of the child and experience terminal differentiation. The activation of a host of genes specific for the mature heart is correlated with the exit from the cell cycle. Even when exposed to mitogenic stimuli, the bulk of mature cardiomyocytes do not re‐join the cell cycle. The reason for this permanent exit from the cell cycle is shown to be linked with stable switching off of the genes of the cell cycle directly involved in the G2/M transition phase and cytokinesis development. Researchers also trying to explain the molecular mechanism involved in stable inhibition of the gene and described structural changes (epigenetic and chromatin) in this mechanism. Substantial developments in the future with advances in the scientific platforms used for cardiomyocyte maturation research will broaden our understanding of this mechanism and result in better maturation of cardiomyocyte‐derived pluripotent stem cells and effective treatment approaches for cardiovascular diseases.
Erector spinae plane block for affective and safe analgesia in a patient with severe penetrating chest trauma caused by an explosion in the battlefield
Authors: Dmytriiev Dmytro , Dîrzu Dan Sebastian , Melnychenko Mykola , Eichholz Rudiger 
Published: October 2022

AbstractThe ongoing conflict in Ukraine continues to generate many complex traumatic injuries and provides unique challenges to anaesthesiologists who provide medical care at various levels of medical evacuation. We report the successful use of an ultrasound‐guided continuous erector spinae plane (ESP) block in a patient with severe posterolateral chest trauma. The acute perioperative outcome of the patient was improved with the ESP block, the main benefits being excellent analgesia and minimal postoperative morphine requirements without influencing the risk of bleeding and coagulopathy. We conclude that continuous ESP block can be utilized to provide excellent analgesia following massive thoracic trauma. It's ease of placement under ultrasound guidance and low risk of complications makes this technique particularly useful in war medicine.
Graphdiyne: A Chelating Carbon for High Selectivity Direct Electrochemical Sensing of Trace Copper Ions
Authors: Shi Zhuanzhuan , Liu Liang , Li Yuan , Wu Xiaoshuai , Li Yunpeng , Li Qingyuan , Hao Xijuan , Li Chang Ming , Guo Chunxian 
Published: October 2022

AbstractGraphdiyne (GDY), an emerging type of carbon allotropes with unique sp−sp2 carbon atoms, is firstly explored for high selectivity direct electrochemical sensing of ultra‐trace level copper ions (Cu2+). It achieves a wide detection range of 0.25–380 μM and a trace level as low as 8 nM, among the best performance of reported carbon‐based sensors. It is found that GDY with unique C≡C possesses both chelating and reducing abilities to efficiently anchor and reduce Cu2+ to Cu+, eventually leading to ultrasensitive detection.
Data point importance: Information ranking in multivariate data
Authors: Zade Somaye Vali , Neymeyr Klaus , Sawall Mathias , Fischer Christian , Abdollahi Hamid 
Published: October 2022

AbstractA new characteristic term, data point importance (DPI), is introduced in order to quantify the information ranking in multivariate data. DPI defines an easily calculable value corresponding to each row or column of data matrix to reflect its impact for keeping the pattern of the data structure. Usually, a lot of data points have DPIs equal or very close to zero so that they do not carry on useful information about keeping the data pattern. DPI values for some of the data points are significant, and they have been sorted regarding to their importance values. The applicability of the proposed procedure is tested for three typical examples of simulated and experimental data including hyperspectral image data. The possible incorporation of the DPI values for more informative score plots is suggested.
Multi‐Resonant Thermally Activated Delayed Fluorescent (MR‐TADF) Compounds as Photocatalysts**
Authors: Prentice Callum , Morrison James , Smith Andrew D. , Zysman‐Colman Eli 
Published: October 2022

AbstractDonor‐acceptor (D−A) thermally activated delayed fluorescent (TADF) compounds, such as 4CzIPN, have become a widely used sub‐class of organic photocatalysts for a plethora of photocatalytic reactions. Multi‐resonant TADF (MR‐TADF) compounds, a subclass of TADF emitters that are rigid nanographene derivatives, such as DiKTa and Mes3DiKTa, have to date not been explored as photocatalysts. In this study both DiKTa and Mes3DiKTa were found to give comparable or better product yield than 4CzIPN in a range of photocatalytic processes that rely upon reductive quenching, oxidative quenching, energy transfer and dual photocatalytic processes. In a model oxidative quench process, DiKTa and Mes3DiKTa gave increased reaction rates in comparison to 4CzIPN, with DiKTa being of particular interest due to the lower material cost (£0.94/mmol) compared to that of 4CzIPN (£3.26/mmol). These results suggest that DiKTa and Mes3DiKTa would be excellent additions to any chemist's collection of photocatalysts.
Computer‐Aided Design of Crosslinked Polymer Membrane Using Machine Learning and Molecular Dynamics
Authors: Guo Wenjing , Chai Shiyang , Zhang Lei , Du Jian 
Published: October 2022

AbstractThe formation of crosslinking network between polymer chains has significant influence on polymer properties. In particular, the crosslinked structure of ionic networks like proton exchange membrane affects the conductivity performance. To further develop in this area, a framework for polymer membrane design based on the developed quantitative prediction model of the properties of crosslinked polymer is proposed. First, polymers with different crosslinking degrees are constructed by a crosslinking algorithm. Next, molecular dynamics is used to calculate the properties of crosslinked polymers. Then, the quantitative relationship between crosslinked polymer structures and macroscopical properties is developed. Subsequently, computer‐aided polymer design method is integrated with the developed quantitative predict model. The crosslinked polymer design problem is expressed as an optimization problem to obtain the optimal crosslinking degree. Bayesian optimization strategy is used to solve the established optimization model. Finally, two case studies of perfluoro sulfonic acid and perfluoro imide acid design are given to illustrate the application of the proposed polymer design framework.
Fuel properties and combustion performance of hydrochars prepared by hydrothermal carbonization of different recycling paper mill wastes
Authors: Assis Englatina I. N. C. , Chirwa Evans M. N. 
Published: October 2022

AbstractThe incineration of high‐moisture solid residues generated at the recycling paper mills represents an energetically unfavourable method of resource utilization. Alternatively, hydrothermal pre‐treatment is considered. In this study, low‐value paper sludges from three different recycling streams were hydrothermally carbonized at 205, 225, and 245°C for 3 h. The raw feedstocks and derived hydrochars were analyzed for energy properties, chemical characteristics, surface morphology, functional groups, and combustion performance employing energy densification and mass yield quantification, scanning electron microscopy, elemental analyzer, Fourier‐transform infrared spectroscopy, and thermogravimetry. The increase in reaction temperature was reported to cause a decrease in mass yield and an increase in energy densification and calorific values corresponding to 5.98%–49.35% and 10.10%–58.51% for raw fibre rejects and final sludge‐derived hydrochar, respectively. Hydrothermal carbonization (HTC) had a non‐significant influence on the energy densification of primary clarifier sludge‐derived hydrochar. Higher reaction temperatures favoured the rate of dehydration and decarboxylation, leading to hydrochars with lower H/C and O/C ratios, thereby enhancing the overall fuel properties. The low‐nitrogen and low‐sulphur fuels obtained validated the effectiveness of HTC treatment to produce high‐quality cleaner solid fuel. The burnout temperature was mostly reduced with an increase in HTC temperature. At HTC‐205 and 225°C, the ignition temperature and the combustion performance increased as a result of the HTC reaction mechanisms. HTC effectively recovered hydrochar with increased carbon content, improved energy densification, and good combustion adequacy. Hydrochar derived from recycling mills may play a role in the energy sector as a substitute for coal or in co‐combustion at coal‐fired power plants.
Five‐day versus 7‐day treatment regimen with azacitidine in lower risk myelodysplastic syndrome: A phase 2, multicenter, randomized trial
Authors: Park Silvia , Park So Yeon , Lee Je‐Hwan , Choi Eun‐Ji , Lee Kyoo‐Hyung , Yoon Sung‐Soo , Hong Junshik , Shin Dong‐Yeop , Kim Yoo‐Jin 
Published: October 2022

AbstractBackgroundLow‐dose azacitidine (AZA) regimens, primarily 5‐day AZA, have been used in lower risk myelodysplastic syndrome (LrMDS) but they have yet to be directly compared to the standard 7‐day, uninterrupted dosing schedule.MethodIn this phase 2, multicenter, randomized trial, 55 patients with adult LrMDS (low and intermediate‐1 risk by international prognostic scoring system [IPSS]) were randomly assigned and received either 5‐day (n = 26) or 7‐day (n = 29) AZA between March 2012 and August 2020. The trial was stopped prematurely because of the slow accrual of patients. The primary end point was the overall response rate (ORR) of the 5‐day AZA as compared to that of the 7‐day regimen.ResultsMedian patient age was 59 years, and IPSS intermediate‐1 risk comprised the majority (81.8%). The median number of cycles in both arms was six. In the ITT subset (n = 53), in each of the 5‐day and 7‐day arms, the ORR of 48.0% and 39.3%, hematologic improvement of 44.0% and 39.3%, and RBC transfusion independence of 35.3% and 40.0% were observed respectively, and none of these findings were significantly different between the two arms. A cytogenetic response rate was significantly higher in the 7‐day arm (8.3% and 53.8%, p = .027). Survival and adverse events were similar between the groups, although gastrointestinal toxicities, grade ≥3 thrombocytopenia, and febrile neutropenia were less frequent in the 5‐day arm.ConclusionThe 5‐day AZA in LrMDS showed comparable efficacy to a 7‐day regimen in terms of similar overall response and other outcomes, despite significantly higher rates of cytogenetic responses in the 7‐day regimen.Lay summary

Azacitidine (75 mg/m2/day for 7 consecutive days per 28‐day cycle) has shown survival benefit in patients with higher risk myelodysplastic syndrome (MDS).

Although the use of azacitidine is less‐well studied for lower risk MDS, it is generally accepted as a feasible option for lower risk MDS (LrMDS).
Tuning Structure and Properties of Pt Catalysts Confined in Single‐Walled Carbon Nanotubes (SWNTs) for Electrocatalysis
Authors: Hu Jiacheng , Zhou Linsen , Sang Ge , Xu Cigang 
Published: October 2022

AbstractNew approaches to enhance the activity of Pt electrocatalysts in the field of H2 energy are desirable, and recently Pt catalysts confined in SWNTs have been shown to possess an enhanced catalytic activity, but the way to control their structure and properties for optimized performance is still unexplored. Here, a facile two‐step process was developed to provide such control, in which Pt was firstly co‐filled with different ratio of Co in SWNTs and followed by acid treatment to remove Co. The resulting Pt catalysts (d‐Pt‐Co@SWNT) were appraised for two typical electrocatalytic applications with the correlation between structure and catalytic activity demonstrated: for amperometric hydrogen sensing, the d‐Pt90‐Co10@SWNT catalyst showed sensitivity 7 times higher than that of Pt100@SWNT; for hydrogen evolution, the d‐Pt10‐Co90@SWNT catalyst exhibited mass activity about 10 times higher than that of the commercial Pt‐C. Overall the approach provides a general route to tune structure and properties of metal catalyst confined in carbon nanotubes for different applications in many fields.