bluuebunny/crossref_metadata_2025_split huggingface dataset:
A New Antioxidant Decalin Polyketide from Freshwater‐Sediment‐Derived Fungus Penicillium sp. Strain S1a1
Authors: Ebada Sherif S. , Ebrahim Weaam 
Published: September 2019

AbstractChromatographic workup for EtOAc (ethyl acetate) extract of an OSMAC (One Strain MAny Compounds)‐modified solid rice culture of the freshwater‐sediment‐derived fungus, Penicillium sp. (S1a1), afforded one new decalin polyketide derivative, tanzawaic acid Z1 (1). The chemical structure of the new derivative was unambiguously established based on extensive 1D (one‐) and 2D (two‐dimensional) NMR (Nuclear Magnetic Resonance) spectroscopic data along with ESI‐HRMS (ElectroSpray Ionization‐High Resolution Mass Spectrometry). Moreover, the relative configuration was determined based on NMR spectroscopic data including a ROESY (Rotational Overhauser Effect SpectroscopY) spectrum. The absolute configuration was suggested on the basis of the specific optical rotation, and biogenetic considerations in comparison with related previously isolated known metabolites from the same fungal strain. In addition, the antioxidant, antibacterial and cytotoxic activities of the new derivative were evaluated. Compound 1 proved to exert a promising antioxidant activity.
Ultrasonic Cavitation Facilitates Rapid Synthesis of Trisubstituted Pyrazole Scaffolds through Michael Addition/Domino Cyclization
Authors: Kannan Damodharan , Naveen Shivalingegowda , Jagadeesan Ganapathy , Lokanath Nerattur Krishnappagowda , Thennarasu Sathiah 
Published: September 2019

AbstractA series of aryl/indolyl substituted 4, 5‐dihydro‐1H‐pyrazole derivatives were synthesized via a domino method based on Michael addition mediated cyclization of appropriate chalcones. The chalcones were prepared by Witting reaction in which substituted aromatic aldehydes were treated with stable ylides under eco‐friendly ultrasonic cavitation. The pyrazole scaffolds were obtained in excellent yields within a short span of time.
Modelling Vibrational Dissociation of [H2–HCO]+
Authors: Kraus Peter , Alznauer H. Tobias , Frank Irmgard 
Published: September 2019

AbstractThe [H2–HCO]+ complex is likely to be one of the most important complexes in interstellar space, as it is a complex of the most abundant interstellar species. In the current work, we investigate the interaction energy and potential surface of the complex using a range of computational methods. The dynamics of the complex are investigated by incorporating an external time‐dependent field into Car‐Parrinello molecular dynamics (CPMD) and inducing a vibrationally activated dissociation. This excitation method is compared to a normal‐mode excitation from the equilibrium structure. The results agree well with the available experimental data: an excitation to the first vibrationally‐excited state of either of the high‐frequency HCO+ modes (ν2, ν3) causes a dissociation of the complex on picosecond timescales.
Oxidase‐Like Fe‐N‐C Single‐Atom Nanozymes for the Detection of Acetylcholinesterase Activity
Authors: Wu Yu , Jiao Lei , Luo Xin , Xu Weiqing , Wei Xiaoqian , Wang Hengjia , Yan Hongye , Gu Wenling , Xu Bo Z. , Du Dan , Lin Yuehe , Zhu Chengzhou 
Published: September 2019

AbstractSingle‐atom catalysts (SACs) have attracted extensive attention in the catalysis field because of their remarkable catalytic activity, gratifying stability, excellent selectivity, and 100% atom utilization. With atomically dispersed metal active sites, Fe‐N‐C SACs can mimic oxidase by activating O2 into reactive oxygen species, O2−• radicals. Taking advantages of this property, single‐atom nanozymes (SAzymes) can become a great impetus to develop novel biosensors. Herein, the performance of Fe‐N‐C SACs as oxidase‐like nanozymes is explored. Besides, the Fe‐N‐C SAzymes are applied in biosensor areas to evaluate the activity of acetylcholinesterase based on the inhibition toward nanozyme activity by thiols. Moreover, this SAzymes‐based biosensor is further used for monitoring the amounts of organophosphorus compounds.
Linear Dichroism and Nondestructive Crystalline Identification of Anisotropic Semimetal Few‐Layer MoTe2
Authors: Zhu Meijie , Zhao Yan , Feng Qingliang , Lu Hua , Zhang Shuqing , Zhang Na , Ma Chaojia , Li Jiafeng , Zheng Jianbang , Zhang Jin , Xu Hua , Zhai Tianyou , Zhao Jianlin 
Published: September 2019

AbstractSemimetal 1T′ MoTe2 crystals have attracted tremendous attention owing to their anisotropic optical properties, Weyl semimetal, phase transition, and so on. However, the complex refractive indices (n‐ik) of the anisotropic semimetal 1T′ MoTe2 still are not revealed yet, which is important to applications such as polarized wide spectrum detectors, polarized surface plasmonics, and nonlinear optics. Here, the linear dichroism of as‐grown trilayer 1T′ MoTe2 single crystals is investigated. Trilayer 1T′ MoTe2 shows obvious anisotropic optical absorption due to the intraband transition of dz2 orbits for Mo atoms and px orbits for Te atoms. The anisotropic complex refractive indices of few‐layer 1T′ MoTe2 are experimentally obtained for the first time by using the Pinier equation analysis. Based on the linear dichroism of 1T′ MoTe2, angle‐resolved polarized optical microscopy is developed to visualize the grain boundary and identify the crystal orientation of 1T′ MoTe2 crystals, which is also an excellent tool toward the investigation of the optical absorption properties in the visible range for anisotropic 2D transition metal chalcogenides. This work provides a universal and nondestructive method to identify the crystal orientation of anisotropic 2D materials, which opens up an opportunity to investigate the optical application of anisotropic semimetal 2D materials.
Jointgraph: A DAG‐based efficient consensus algorithm for consortium blockchains
Authors: Xiang Fu , Huaimin Wang , Peichang Shi , Xue Ouyang , Xunhui Zhang 
Published: September 2019

SummaryThe blockchain is a distributed ledger that records all transactions and operations in a shared manner. Public blockchains such as Bitcoin realize decentralization at the cost of mining overhead, which is not suitable for real‐life scenarios requiring high throughput. Techniques such as the consortium blockchain improve efficiency through partial decentralization. However, the consensus algorithms used in the existing state‐of‐the‐art consortium blockchains face many challenges when dealing with commercial applications. For example, the high communication overhead hinders the scalability of PBFT‐based consensus algorithms even though they are efficient at small scale. Hashgraph, one of the most popular Directed Acyclic Graph‐based (DAG‐based) consensus algorithms, achieves good performance in scalability; however, it does not allow users' dynamic participation. To deal with these challenges, we propose Jointgraph, a Byzantine fault‐tolerance consensus algorithm for consortium blockchains based on DAG. In Jointgraph, transactions are packed into events and validated by no less than 2/3 of all members. A supervisor is introduced in our design, who monitors member behaviors and improves consensus efficiency. Simulation results demonstrate that Jointgraph outperforms Hashgraph in both throughput and latency.
Classification of malicious process using high‐level activity based dynamic analysis
Authors: Vidyarthi Deepti , Damri Gaurav , Rakshit Subrata , Suthikshn Kumar C. R. , Chansarkar Shailesh 
Published: September 2019

AbstractDetection of malicious program is a critical component in system security. Advanced malware like metamorphic, polymorphic, or evasive malware cannot be detected successfully using the traditional signature‐ and heuristics‐based anti‐malware methods. This paper proposes an approach to detect malicious activity running on the system by leveraging semantics of the behavior of processes to complement the static characteristics of their executable image. Static characteristics are captured from the file header, optional headers, and sections of the executable file. The behavior model of the process is in the form of high‐level activities generated through the runtime tracing of the process. The proposed approach classifies malicious executables on the basis of the higher‐level abstraction of the activity rather than the actual system calls. Experimental results show that the approach supplements the traditional methods toward the improvement of the precision in the overall classification of malicious activity, besides detecting advanced malware which uses obfuscation, polymorphism techniques, etc. for evasion.
Effects of family control on the degree and type of diversification: Empirical evidence for business groups
Authors: Hernández‐Trasobares Alejandro , Galve‐Górriz Carmen 
Published: September 2019

AbstractThis article analyzes the impact of ownership structure on corporate diversification, with reference to large listed family business groups. By considering agency theory and socioemotional wealth, the study examines the relationship between family ownership, concentration of ownership, and degree and type of diversification. The study considers 99 Spanish listed business groups (50 family‐controlled‐ and 49 nonfamily‐controlled groups) and considers diversification of business group as the focus of analysis. The results show how family business groups present a lower preference for unrelated diversification than related diversification. There is also a nonlinear relationship between the concentration of ownership in family groups and the degree of diversification, showing different behaviors in family groups according to shares owned by the family's leading shareholders. This article contributes to the literature by providing a more precise identification of the corporate strategy adopted by business groups and establishing new evidence about the impact of family control on diversification strategies and the differences regarding nonfamily business groups.
Di (2‐ethylhexyl) phthalate targets the thioredoxin system and the oxidative branch of the pentose phosphate pathway in liver of Balb/c mice
Authors: Amara Ines , Timoumi Rim , Annabi Emna , Di Rosa Gabriele , Scuto Maria , Najjar Mohamed F. , Calabrese Vittorio , Abid‐Essefi Salwa 
Published: September 2019

AbstractDi (2‐ethylhexyl) phthalate (DEHP) is a plasticizer that gives flexibility to various polyvinyl chloride products. It is a pollutant easily released into the environment and can cause many adverse effects to living organisms including hepatotoxicity. The thioredoxin system is a determining factor in the redox balance maintaining in the liver, which is a vulnerable tissue of reactive oxygen species overproduction because of its high energy needs. In order to determine if the thioredoxin system is a target in the development of DEHP hepatotoxicity, Balb/c mice were administered with DEHP intraperitoneally daily for 30 days. Results demonstrated that after DEHP exposure, biochemical profile changes were observed. This phthalate causes oxidative damage through the induction of lipid peroxydation as well as the increase of superoxide dismutase and catalase activities. As new evidence provided in this study, we demonstrated that the DEHP affected the thioredoxin system by altering the expression and the activity of thioredoxin (Trx) and thioredoxin Reductase (TrxR1). The two enzyme activities of the oxidative phase of the pentose phosphate pathway: Glucose‐6‐phosphate dehydrogenase and 6‐Phosphogluconate dehydrogenase were also affected by this phthalate. This leads to a decrease in the level of nicotinamide adenine dinucleotide phosphate used by the TrxR1 to maintain the regeneration of the reduced Trx. We also demonstrated that such effects can be responsible of DEHP‐induced DNA damage.
First‐trimester intrauterine hematoma and pregnancy complications
Authors: Al‐Memar M. , Vaulet T. , Fourie H. , Bobdiwala S. , Farren J. , Saso S. , Bracewell‐Milnes T. , Moor B. De , Sur S. , Stalder C. , Bennett P. , Timmerman D. , Bourne T. 
Published: September 2019

ABSTRACTObjectiveTo assess whether sonographic diagnosis of intrauterine hematoma (IUH) in the first trimester of pregnancy is associated with first‐trimester miscarriage and antenatal, delivery and neonatal complications.MethodsThis was a prospective observational cohort study of women with an intrauterine singleton pregnancy between 5 and 14 weeks' gestation recruited at Queen Charlotte's and Chelsea Hospital, London, UK, between March 2014 and March 2016. Participants underwent serial ultrasound examinations in the first trimester, and the presence, location, size and persistence of any IUH was evaluated. First‐trimester miscarriage was defined as pregnancy loss before 14 weeks' gestation. Clinical symptoms, including pelvic pain and vaginal bleeding, were recorded at each visit using validated symptom scores. Antenatal, delivery and neonatal outcomes were obtained from hospital records. Logistic regression analysis and the chi‐square test were used to assess the association between the presence and features of IUH and the incidence of adverse pregnancy outcome. Odds ratios (OR) were first adjusted for maternal age (aOR) and then further adjusted for the presence of vaginal bleeding or pelvic pain in the first trimester.ResultsOf 1003 women recruited to the study, 946 were included in the final analysis and of these, 268 (28.3%) were diagnosed with an IUH in the first trimester. The presence of IUH was associated with the incidence of preterm birth (aOR, 1.94 (95% CI, 1.07–3.52)), but no other individual or overall antenatal, delivery or neonatal complications. No association was found between the presence of IUH in the first trimester and first‐trimester miscarriage (aOR, 0.81 (95% CI, 0.44–1.50)). These findings were independent of the absolute size of the hematoma and the presence of vaginal bleeding or pelvic pain in the first trimester. When IUH was present in the first trimester, there was no association between its size, content or position in relation to the gestational sac and overall antenatal, delivery and neonatal complications. Diagnosis of a retroplacental IUH was associated with an increased risk of overall antenatal complications (P = 0.04).ConclusionsOur findings demonstrate that there is no association between the presence of IUH in the first trimester and first‐trimester miscarriage. However, an association with preterm birth, independently of the presence of symptoms of pelvic pain and/or vaginal bleeding, is evident. Women diagnosed with IUH in the first trimester should be counseled about their increased risk of preterm birth and possibly be offered increased surveillance during the course of their pregnancy. Copyright © 2019 ISUOG. Published by John Wiley & Sons Ltd.
Comparative transcriptomic analysis reveals beneficial effect of dietary mulberry leaves on the muscle quality of finishing pigs
Authors: Chen Guoshun , Su Yingyu , Cai Yu , He Lianghong , Yang Gang 
Published: September 2019

AbstractBackgroundThe aim of this study was to investigate the effect of dietary mulberry leaves on the transcriptome profiles of finishing pigs. RNA‐Seq was used to identify differentially expressed genes (DEGs) in the longissimus dorsi of 56 pigs fed either a traditional diet or diets supplemented with 3%, 6% or 9% mulberry leaf powder, and both gene ontology (GO) function and Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analyses were performed. Furthermore, protein–protein interaction (PPI) network and the subnet module analysis were used to identify genes with beneficial potential, and quantitative real‐time polymerase chain reaction (qRT‐PCR) was used to validate the expression patterns revealed by RNA‐Seq.ResultsPigs fed with the 6% mulberry diet exhibited greater average daily gain, lower water loss and lower shear force than the control group and yielded 531 DEGs, including 271 and 260 upregulated and downregulated genes, respectively. Function analysis revealed that the DEGs were significantly enriched in functions related to muscle growth and development. Furthermore, several genes (i.e. ACOT4, ECHS1, HACD1, NPR1, ADCY2, MGLL and IRS1) were enriched in a KEGG pathway that was associated with fatty acid metabolism, and in the PPI subnet module, four of eight node genes, namely TNNC1, MYL3, TCAP and TNNT1, were associated with muscle formation and development. The upregulation of these genes, including TNNC1, TNNT1 and MYL3, was confirmed by qRT‐PCR.ConclusionsDietary mulberry leaves (6%) may improve the muscle quality of pigs by modulating the expression of several key genes, such as TNNC1, MYL3 and TNNT1.
Understanding rivers and their social relations: A critical step to advance environmental water management
Authors: Anderson Elizabeth P. , Jackson Sue , Tharme Rebecca E. , Douglas Michael , Flotemersch Joseph E. , Zwarteveen Margreet , Lokgariwar Chicu , Montoya Mariana , Wali Alaka , Tipa Gail T. , Jardine Timothy D. , Olden Julian D. , Cheng Lin , Conallin John , Cosens Barbara , Dickens Chris , Garrick Dustin , Groenfeldt David , Kabogo Jane , Roux Dirk J. , Ruhi Albert , Arthington Angela H. 
Published: September 2019

AbstractRiver flows connect people, places, and other forms of life, inspiring and sustaining diverse cultural beliefs, values, and ways of life. The concept of environmental flows provides a framework for improving understanding of relationships between river flows and people, and for supporting those that are mutually beneficial. Nevertheless, most approaches to determining environmental flows remain grounded in the biophysical sciences. The newly revised Brisbane Declaration and Global Action Agenda on Environmental Flows (2018) represents a new phase in environmental flow science and an opportunity to better consider the co‐constitution of river flows, ecosystems, and society, and to more explicitly incorporate these relationships into river management. We synthesize understanding of relationships between people and rivers as conceived under the renewed definition of environmental flows. We present case studies from Honduras, India, Canada, New Zealand, and Australia that illustrate multidisciplinary, collaborative efforts where recognizing and meeting diverse flow needs of human populations was central to establishing environmental flow recommendations. We also review a small body of literature to highlight examples of the diversity and interdependencies of human‐flow relationships—such as the linkages between river flow and human well‐being, spiritual needs, cultural identity, and sense of place—that are typically overlooked when environmental flows are assessed and negotiated. Finally, we call for scientists and water managers to recognize the diversity of ways of knowing, relating to, and utilizing rivers, and to place this recognition at the center of future environmental flow assessments.This article is categorized under:Water and Life > Conservation, Management, and AwarenessHuman Water > Water GovernanceHuman Water > Water as Imagined and Represented
Classical molecular dynamics on graphics processing unit architectures
Authors: Jász Ádám , Rák Ádám , Ladjánszki István , Cserey György 
Published: September 2019

AbstractMolecular dynamics (MD) has experienced a significant growth in the recent decades. Simulating systems consisting of hundreds of thousands of atoms is a routine task of computational chemistry researchers nowadays. Thanks to the straightforwardly parallelizable structure of the algorithms, the most promising method to speed‐up MD calculations is exploiting the large‐scale processing power offered by the parallel hardware architecture of graphics processing units or GPUs. Programming GPUs is becoming easier with general‐purpose GPU computing frameworks and higher levels of abstraction. In the recent years, implementing MD simulations on graphics processors has gained a large interest, with multiple popular software packages including some form of GPU‐acceleration support. Different approaches have been developed regarding various aspects of the algorithms, with important differences in the specific solutions. Focusing on published works in the field of classical MD, we describe the chosen implementation methods and algorithmic techniques used for porting to GPU, as well as how recent advances of GPU architectures will provide even more optimization possibilities in the future.This article is characterized under:
Software > Simulation Methods
Computer and Information Science > Computer Algorithms and Programming
Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods
The potential of 1H-MRS in CNS drug development
Authors: Egerton Alice 
Published: September 2019

Abstract
Rationale
Proton magnetic resonance spectroscopy (1H-MRS) is a cross-species neuroimaging technique that can measure concentrations of several brain metabolites, including glutamate and GABA. This non-invasive method has promise in developing centrally acting drugs, as it can be performed repeatedly within-subjects and be used to translate findings from the preclinical to clinical laboratory using the same imaging biomarker.

Objectives
This review focuses on the utility of single-voxel 1H-MRS in developing novel glutamatergic or GABAergic drugs for the treatment of psychiatric disorders and includes research performed in rodent models, healthy volunteers and patient cohorts.

Results
Overall, these studies indicate that 1H-MRS is able to detect the predicted pharmacological effects of glutamatergic or GABAergic drugs on voxel glutamate or GABA concentrations, although there is a shortage of studies examining dose-related effects. Clinical studies have applied 1H-MRS to better understand drug therapeutic mechanisms, including the glutamatergic effects of ketamine in depression and of acamprosate in alcohol dependence. There is an emerging interest in identifying patient subgroups with ‘high’ or ‘low’ brain regional 1H-MRS glutamate levels for more targeted drug development, which may require ancillary biomarkers to improve the accuracy of subgroup discrimination.

Conclusions
Considerations for future research include the sensitivity of single-voxel 1H-MRS in detecting drug effects, inter-site measurement reliability and the interpretation of drug-induced changes in 1H-MRS metabolites relative to the known pharmacological molecular mechanisms. On-going technological development, in single-voxel 1H-MRS and in related complementary techniques, will further support applications within CNS drug discovery.