bluuebunny/crossref_metadata_2025_split huggingface dataset:
Static headspace gas chromatography–mass spectrometry for volatile organic compounds in bovine milk samples
Authors: Kwon Dokyung , Lee Eunbi , Nguyen Huu‐Quang , Jang Hanbyeol , Kim Jeongkwon 
Published: May 2023

AbstractVolatile organic compounds (VOCs) provide insight into the taste and aroma of milk. VOCs in milk are typically analyzed using headspace gas chromatography–mass spectrometry (GC‐MS). While static headspace GC‐MS is a simple and widely applicable analytical technique for the analysis of VOCs in various samples, it has not been frequently applied to milk samples. In this study, static headspace GC‐MS was used to compare the VOCs of three different brands of commercial milk. Three components were identified in the samples, that is, acetone, toluene, and 2‐heptanone, where the concentration ranges of acetone, toluene, and 2‐heptanone in the milk samples were 2.284–3.256, 0.028–0.178, and 0.014–0.020 μg/mL, respectively. A literature review found that all three components were previously reported in milk, while toluene and 2‐heptanone were newly identified using headspace GC‐MS in this study.
Educational interactive virtual strain and consolidation tests using LabVIEW and Arduino Uno microcontroller
Authors: Allawi Faridoun A. M. 
Published: May 2023

AbstractThe main objectives of this research are to derive a modified retardation time parameter of the Kelvin model in terms of the coefficient of consolidation of the 1D‐consolidation equation and to design and implement an educational LabVIEW program linked with Arduino‐Uno microcontroller as data acquisition devices for practical verification of the results inside the classroom. Consolidation coefficients of the derived equation decrease with increasing retardation time parameters of the Kelvin model. The regression module of the educational program shows a negative power of fit with an MSE of (0.134), and a 1:1 scatter plot between the derived equation and the 1D‐consolidation equation, indicating a complete fit between both equations. The derived negative power fit equation of the educational program has led to a new expression of the stress ratio of the dashpot unit of the Kevin model. The altered Kelvin dashpot stress ratio is verified experimentally using a resistance‐capacitance (RC) circuit connected to the microcontroller and linked with the educational program. The RC circuit, Arduino‐Uno, and the LabVIEW educational program are “useful” tools in teaching the rheology of soil mechanics inside the classroom. The practicality of the RC circuit for simulating the rheology of soil mechanics inside the classroom enhances the student's understanding and improves their standards in the rheology of soil mechanics.
Bacillinaphthin A: A New Naphthohydroquinone from the Endophyte Bacillus subtilis NPROOT3
Authors: Kumar Pankaj , Nalli Yedukondalu , Dhimmar Asmita , Singh Sanju , Ghadge Vishal A. , Sahastrabudhe Harshal , Gajjar Apexa , Shinde Pramod B. 
Published: May 2023

AbstractThe present study explores the endophyte associated with the halophyte Salicornia brachiata for uncovering new biologically important compounds. Thus, HPLC‐PDA guided chemical investigation of the ethyl acetate extract of the Bacillus subtilis NPROOT3 led to the isolation of a new compound named bacillinaphthin A (1) along with previously known rubinaphthin A (2). The structure of 2 was determined by a comparison of HR‐ESI‐MS, 1H and 13C nuclear magnetic resonances (NMR) with those of reported data, whereas the structure of new compound 1 was elucidated by interpretation of 1D‐ and 2D‐NMR and MS data. Bacillinaphthin (1) and rubinaphthin (2) feature 1,4‐dihydroxy‐2‐naphthoic acid derivatives which have been isolated herein for the first time from the genus Bacillus. Bacillinaphthin (1) is a new congener of 2 with an additional succinic acid side chain attached to the sugar moiety. Production of succinoglycan compounds was reported to regulate symbiosis, hence the isolation of 1 exhibits an example of chemical ecology between the halophyte and its endophyte. In silico tools were used to assess the bioactive potential of both isolated molecules.
Date Seeds (Phoenix dactylifera): Antioxidant Potential and Profile of Free and Bound Polyphenols from Different Cultivars
Authors: Bettaieb Imen , Ali Benabderrahim Mohamed , Rodríguez Arcos Rocío , Jose Jiménez Araujo Ana , Elfalleh Walid 
Published: May 2023

AbstractIn this study, the antioxidant activities and detailed phenolic profiling of extracts from seven cultivars of date seeds were investigated. Significant differences were detected among cultivars. Total phenolic content (TP) ranged between 135.9±12.1 and 284.86±21.9 mg GAE/g DM. The total flavonoid value varied between 34.20±0.34 and 94.46±1.04 mg RE/g DM. The condensed tannin ranged from 24.17±1.13 to 201.60±9.95 mg CTE/g DM. Phloroglucinolysis was used to depolymerize the bound polyphenols. Results show the presence of phenolic acids: Hydroxybenzoic acid, hydroxycinnamic acid, and a high amount of flavan‐3ols (monomers, dimers, and trimers). Before depolymerization, the highest amount of total polyphenols was identified in Kenta (8.48 g/kg) and the lowest was detected in Hessa (4.74 g/kg). After depolymerization, the flavan‐3‐ols increased significantly, ranging between 46.91g/kg in Hessa and 72.38 g/kg in Deglet Nour, with a high degree of polymerization (DP) in all cultivars. It can be concluded that date seeds represent a good source of bioactive compounds.
Efficient Production of 3‐Amino‐2‐Hydroxy Acetophenone by Multi‐Enzyme Biosynthesis
Authors: Tang Heng , Zhu Hong‐Li , Zhong Jin‐Xing , Wang Meng‐Nan , Xue Ya‐Ping , Zheng Yu‐Guo 
Published: May 2023

AbstractWe developed a synthetic route for producing 3‐amino‐2‐hydroxy acetophenone (3AHAP) from m‐nitroacetophenone (3NAP) using an in vitro approach. Various reaction systems were evaluated, and a direct reaction method with crude enzyme and supersaturated substrates for optimal catalytic efficiency was chosen. The reaction system included three enzymes and was enhanced by adjusting enzyme molar ratios and optimizing ribosomal binding sites. We performed substrate docking and alanine scanning to identify key sites in the enzymes nitrobenzene nitroreductase (nbzA) and hydroxylaminobenzene mutase (habA). The optimal mutant was obtained through site‐directed mutagenesis, and incorporated into the reaction system, resulting in increased product yield. After optimization, the yield of 3AHAP increased from 75 mg/L to 580 mg/L within 5 hours, the highest reported yield using biosynthesis. This work provides a promising strategy for the efficient and sustainable production of 3AHAP, which has critical applications in the chemical and pharmaceutical industries.
A Sustainable Approach to Selective Hydrogenation of Unsaturated Esters and Aldehydes with Ruthenium Catalysts
Authors: Passos Lucas H. R. , Martínez‐Agramunt Víctor , Gusev Dmitry G. , Peris Eduardo , dos Santos Eduardo N. 
Published: May 2023

AbstractThe reduction of esters and aldehydes to alcohols is an important reaction in the chemical industry to produce a wide range of bulk and fine chemicals. Herein, the unexpected behavior of three state‐of‐the‐art, commercially available Ru‐catalysts for the hydrogenation of these feedstocks is reported. For ester and aldehydes containing a C=C bond, it was possible to carry out the selective hydrogenation of the ester or aldehyde functionality while keeping the C=C double‐bond essentially untouched. Furthermore, it is demonstrated that these substrates can be reduced under very mild reaction conditions (as low as 40 °C and 5 bar of H2) and that anisole, a solvent with a high sustainability rank, is suitable for these catalytic hydrogenations.
Lithium‐Ion Batteries Containing Surfactants for the Protection of Graphite Anode against the Passivation Layer Byproducts
Authors: Chrétien Fabien , Nikiforidis Georgios , Damas Christine , Anouti Mérièm 
Published: May 2023

AbstractThe electrolyte is an essential component of all electrochemical devices, including lithium‐ion batteries (LIBs). During the initial charging process, a portion of the electrolyte (usually a mixture of organic solvents and lithium salts) decomposes at the anode surface, forming a thin layer of solid electrolyte interface (SEI). This study examines the physicochemical properties of three surfactants: lithium dodecyl sulfate (LiDS), polyoxyethylene ether Forafac 1110D (LiF1110), and lithium perfluoro octanesulfonate Forafac 1185D (LiFOS). Initially, their thermal properties (surface tension and contact angle) are determined. Then, electrochemical tests (cyclic voltammetry, galvanostatic charge‐discharge cycling, and electrochemical impedance spectroscopy) followed by ex‐situ X‐ray photoelectron spectroscopy (XPS) measurements on the graphite anodes in a standard electrolyte ethylene carbonate/propylene carbonate/3 dimethyl carbonate +1 mol L−1 LiPF6 are conducted to compare the surfactants′ action according to their chemical structure, as well as their effect on the interface properties of the formed SEI. The results indicate that surfactants improve electrode interfaces due to their amphiphilic character, preventing the harmful effects of passivation layer salts (LiF, LiOH, Li2O, etc.) that deposit on the graphite interfaces. The three surfactants affect the cycling behavior and performance of the half‐cells differently depending on their ionic or nonionic nature and the polarity or non‐polarity of the salt (e. g., lithium fluoride LiF, lithium oxide Li2O), with LiF1110 demonstrating the best performance.
Merger of Rotation Restriction and Symmetrical Push‐Pull to Synthesize Single‐Benzene Yellow Fluorophores
Authors: Wang Zimo , Horiguchi Genki , Kamiya Hidehiro , Okada Yohei 
Published: May 2023

AbstractSmall yet brightly emitting fluorophores should find fundamental and practical applications in both academic and industrial settings. In this report, tetrahydrobenzodifuran is used as the core architecture to create novel single‐benzene fluorophores. The key for realizing unique and powerful photophysical properties is the combination of the construction of symmetrical push‐pull motifs and the restriction of bond rotations to suppress molecular motions that cause non‐radiative transitions.
Synthesis, Characterization and in vitro Anticancer Evaluation of 5‐Sulfinyl(sulfonyl)‐4‐arylsulfonyl‐Substituted 1,3‐Oxazoles
Authors: Zyabrev Vladimir , Pilyo Stepan , Demydchuk Bohdan , Kachaeva Maryna , Semenyuta Ivan , Zhirnov Victor , Velihina Yevheniia , Brovarets Volodymyr 
Published: May 2023

AbstractA novel series of 5‐sulfinyl(sulfonyl)‐4‐arylsulfonyl‐substituted 1,3‐oxazoles has been synthesized, characterized and subjected to NCI in vitro assessment. Cancer cell lines of all subpanels were most sensitive to 2‐{[4‐[(4‐fluorophenyl)sulfonyl]‐2‐(2‐furyl)‐1,3‐oxazol‐5‐yl]sulfinyl}acetamide (3 l). Its antiproliferative and cytotoxic activity averaged over each subpanel was manifested in a very narrow range of concentrations (GI50: 1.64–1.86 μM, TGI: 3.16–3.81 μM and LC50: 5.53–7.27 μM), i. e. practically did not depend on the origin of the cancer cell line. The COMPARE matrix using TGI vector showed a high positive correlation of 3 l (r=0.88) with the intercalating agent aclarubicin, which inhibits topoisomerases. The absence in the database of standard agents that have a high correlation with the cytotoxicity of this compound suggests that it may have a unique mechanism of action. According to the results of the docking analysis, the most promising anticancer target for compound 3 l is DNA topoisomerase IIβ. The obtained results indicate the anticancer activity of 5‐sulfinyl(sulfonyl)‐4‐arylsulfonyl‐substituted 1,3‐oxazoles, which may be useful for the development of new anticancer drugs. 2‐{[4‐[(4‐Fluorophenyl)sulfonyl]‐2‐(2‐furyl)‐1,3‐oxazol‐5‐yl]sulfinyl}acetamide (3 l), as the most active, can be recommended for further in‐depth studies.
Raising awareness of TBC1 domain‐containing kinase (TBCK) epileptic encephalopathy among Puerto Rican children
Authors: De Luca‐Ramirez Johanna , Rosado Fernández Sofia , Torres Orlando A. 
Published: May 2023

AbstractBackgroundTBC1 domain‐containing kinase (TBCK) syndrome is a rare autosomal recessive genetic disorder that presents with infantile hypotonia, intellectual disability, motor impairment, and drug‐resistant epilepsy. The abnormal TBCK protein alters the mammalian target of rapamycin complex 1 (mTORC1), leading to accumulation of autophagic vesicles within fibroblasts. Thirty‐five previously reported individuals with TBCK were identified.MethodsWe present four children with TBCK due to the p.R126X (p.ARG126*) mutation, a variant predominating among children of Puerto Rican descent. This mutation has been associated with TBCK‐encephaloneuropathy or Boricua syndrome.DiscussionThese four of our patients were diagnosed within a span of 6 months, suggesting that the prevalence of the syndrome could be higher than expected among individuals from Puerto Rico. We believe this finding was largely due to the increasing availability and affordability of modern genetic testing in Puerto Rico, illustrating the importance of equitable access to genetic testing to all pediatric patients with similar symptomatology. Prompt diagnosis facilitates appropriate medical management and prognosis counseling.
Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature
Authors: Geagea Elie , Hamadeh Ali , Jeannoutot Judicaël , Palmino Frank , Breault Nicolas , Rochefort Alain , Hajjar‐Garreau Samar , Pirri Carmelo , Thomas Christophe M. , Chérioux Frédéric 
Published: May 2023

AbstractWe demonstrate that the strong N2 bond can be efficiently dissociated at low pressure and ambient temperature on a Si(111)‐7x7 surface. The reaction was experimentally investigated by scanning tunnelling microscopy and X‐ray photoemission spectroscopy. Experimental and density functional theory results suggest that relatively low thermal energy collision of N2 with the surface can facilitate electron transfer from the Si(111)‐7x7 surface to the π*‐antibonding orbitals of N2 that significantly weaken the N2 bond. This activated N2 triple bond dissociation on the surface leads to the formation of a Si3N interface.
Comparison of Integrated Crop Rotation Systems in Western Canada
Authors: Strydhorst Sheri , Liu Kui 
Published: May 2023

AbstractResearch has shown the benefits of diversifying crop rotations, yet many Prairie farmers keep their rotations short and simple with cereals and oilseeds or cereals and pulses being intensively grown in two‐year rotations. As western Canadian farms are pressed to increase yields while reducing inputs and the environmental impact of food production, growers need help to determine what crop rotations can help them achieve these goals and remain economically viable. This article reports on research evaluating yield and yield stability, nitrogen use efficiency, and net economic returns of six crop rotations in the Southern Prairies, Northern Prairies, and Red River Valley ecozones of western Canada. Earn 0.5 CEUs in Crop Management by reading this article and taking the quiz at https://web.sciencesocieties.org/Learning‐Center/Courses.
Roles of acyl‐coenzyme A synthetase family members in airway epithelia cells
Authors: Zhang Linlin , Liu Xuanqi , Li Liyang , Zhu Bijun , Chen Zhihong , Hou Jiayun , Song Yuanlin , Wang Xiangdong 
Published: May 2023

AbstractBackgroundThe fundamental initial step in the metabolic process of fatty acids (FA) is facilitated by Acyl‐coenzyme A synthetase (ACS). ACS enables FAs to engage in both anabolic and catabolic pathways by creating thioester bonds with CoA, thus triggering their activation. This paper demonstrated the effect of in vitro cells on the ACS family of key enzymes in FA metabolism in response to inflammatory or lipid stimulating factors and provided insight into the relevant metabolic mechanisms.MethodsThe expression levels of 27 ACS family members were assessed across various lung epithelial cell lines, such as HBE, SPC‐1A, or NCI‐H460, in response to external challenges including lipopolysaccharide (LPS), lysophosphatidylcholine (lysoPC), cigarette smoking extract (CSE), cholesterol, and interference with the ACSL5 gene in response to FASN, CPT1A inhibitors.ResultsOur data showed that ACSF2 was highly expressed in SPC‐A1 and NCI‐H460 cells compared with HBE cell, while ACSL4 and ACSVL4 were lower expressed. The 27 ACS family genes associated with FA metabolism varied under several different exogenous stimuli.
Cytomorphologic observations on the sclerosing variant of well‐differentiated pancreatic neuroendocrine tumors: Towards making specific diagnoses early
Authors: McKenzie David , Chen Wei , Shi Chanjuan , Pendse Avani A. 
Published: May 2023

AbstractBackgroundThe recently described sclerosing variant of pancreatic neuroendocrine tumor (spNET) shows prominent stromal fibrosis and decreased tumor cellularity in surgical pathology specimens. Although prognostic data are currently ambivalent, some studies have reported metastatic disease in small primary tumors, highlighting the need for early diagnosis. The aim of our study is to evaluate cytology specimens of spNET to determine its characteristic cytomorphologic features to expedite an early diagnosis.MethodsTwenty‐five cytology cases of spNET from 23 patients and 29 cytology cases of typical pancreatic neuroendocrine tumor (tpNET) from 29 patients diagnosed as such by surgical pathology evaluation were reviewed by two pathologists to assess adequacy of diagnostic material, cellularity and fibrosis. Radiographic findings and outcome data were collected.ResultsWith only 13 of 25 specimens deemed as diagnostic, spNET specimens were more often non‐diagnostic (p < .01) and less often hypercellular (p = .03) compared to tpNET counterparts. While at least focal fibrosis was observed in both groups, a subset of spNET cases showed small tumor cell groups entrapped in large fibrotic fragments. Importantly, spNETs tended to be metastatic at diagnosis (both regionally and distant), with a smaller average tumor size.ConclusionThe hypocellular nature of spNET cytology samples makes this variant difficult to diagnose. However, when adequate sample is available, a subset of spNET show characteristic cytomorphology that enables us to consider this specific diagnosis at first diagnostic sampling. It is crucial to diagnose this variant early given the propensity of small tumors with regional lymph node involvement and liver metastases.
Formation of crevasse‐squeeze ridges at Trygghamna, Svalbard
Authors: Ben‐Yehoshua Daniel , Aradóttir Nína , Farnsworth Wesley R. , Benediktsson Ívar Örn , Ingólfsson Ólafur 
Published: May 2023

AbstractCrevasse‐squeeze ridges (CSRs) are landforms that have been unequivocally linked to surge‐type glaciers. The formation of CSRs has been discussed since they were first defined in the mid‐1980s. Here, we describe geometric CSR networks from the terrestrial glacier forefields of two glaciers in Trygghamna, Western Svalbard. No glacier surges have been observed in Trygghamna; however, the presence of the CSRs signifies past surge activity. Detailed geomorphological maps were constructed, and the spatial context of these landforms described. Cross‐sections of several CSRs highlight ridge architecture, structure and relationships to surrounding landforms and sediments. Most CSRs are symmetrical in cross‐profile, orientated perpendicular or oblique to the ice‐flow direction. Like previous investigations, we observe these ridge networks on top of till and flutes. Additionally, we, for the first time, document CSRs deposited directly on non‐glaciogenic subsurfaces, namely, beach gravels and bedrock. Our findings confirm previous CSR formation theories; basal sediments are squeezed into bottom‐up crevasses during surges, which are subsequently transported englacially until surge termination and are finally released by melt out from stagnant ice. Consequently, a network of CSRs is the product of a significant reorganisation and down‐glacier transport of basal sediment, exemplifying how single surges are agents of glacial sediment redistribution. These formation processes are illustrated in a refined schematic model. The results further contemporary understanding of CSRs in terrestrial surge‐type glacier settings and may also apply to landforms and sediments in certain marine settings and palaeoglacial environments.
Mental health and well‐being in primatology: Breaking the taboos
Authors: Setchell Joanna M. , Unwin Steve , Cheyne Susan M. 
Published: May 2023

AbstractWe hope to raise awareness of mental health and well‐being among primatologists. With this aim in mind, we organized a workshop on mental health as part of the main program of the Winter meeting of the Primate Society of Great Britain in December 2021. The workshop was very well received. Here, we review the main issues raised in the workshop, and supplement them with our own observations, reflections, and reading. The information we gathered during the workshop reveals clear hazards to mental health and suggests that we must collectively acknowledge and better manage both the hazards themselves and our ability to cope with them if we are to avert disaster. We call on institutions and learned societies to lead in seeking solutions for the benefit of primatologists and primatology.
Hedging options in a hidden Markov‐switching local‐volatility model via stochastic flows and a Monte‐Carlo method
Authors: Elliott Robert J. , Siu Tak Kuen 
Published: May 2023

AbstractThe hedging of European contingent claims in a continuous‐time hidden Markov‐regime‐switching diffusion model is discussed using stochastic flows of diffeomorphisms and Monte‐Carlo simulations. Specifically, the price dynamics of an underlying risky asset are governed by a continuous‐time hidden Markov‐modulated local‐volatility model. Filtering theory is used to estimate the unobservable drift given observable price information and to define a filtered market with complete observations. The delta–hedge ratio of a European option is derived using a martingale representation and stochastic flows of diffeomorphisms. The numerical computation of the delta–hedge ratio is estimated via Monte‐Carlo simulations. Numerical results for illustrating the proposed method and the (relative) importance of the impacts of the information risk and the local‐volatility parametrizations on the delta–hedge ratio are provided for the case of European call options.