bluuebunny/crossref_metadata_2025_split huggingface dataset:
Characterization of Highly Coordinated Allylgermanes: Pivotal Players for Enhanced Nucleophilicity and Stereoselectivity
Authors: Minami Yohei , Nishida Kento , Konishi Akihito , Yasuda Makoto 
Published: April 2020

AbstractAllylgermanes with a 4‐, 5‐, and 6‐coordinated germanium center were characterized by X‐ray crystallography. Cationic 6‐coordinated group 14 allylmetals, which were hitherto assumed to be a transition‐state structure of allylations, were successfully isolated. Forming high coordination states significantly enhanced the reactivity of the allylgermanes. In contrast to the 4‐coordinated allylgermanes with low reactivity, the highly coordinated species readily reacted with several aldehydes. Furthermore, the high coordination states exerted a significant effect on the E/Z selectivity of allylation depending on external additives. The coordination structure had a dramatic influence on the electronic and steric environments around the Ge center, enabling the geometrically controlled allylation of aldehydes.
Electroimmunodetection of cardiac C‐reactive protein for determining myocardial Injury
Authors: Gan Xiaoya , Gong Tao , Zheng Yin , Gopinath Subash C. B. , Zhao Ketong 
Published: April 2020

AbstractC‐reactive protein (CRP) is an acute phase reactant to be a marker of inflammation and has been correlated with the cardiac injury. An immunoassay was performed using anti‐human CRP antibody on an InterDigitated electrode (IDE) sensor to determine and specify CRP concentration for diagnosing the condition of myocardial inflammation. To promote the detection, gold nanoparticle (GNP) was seeded on the aminated‐IDE surface. Anti‐CRP was hitched on the GNP‐seeded surface and identified the abundance of CRP. The limit of quantification was found as 100 fM, and the higher current response was noticed by increasing CRP concentrations with the sensitivity at 1 pM. Furthermore, CRP‐spiked human serum did not interfere the determination of CRP and increased the current response, indicating suitability for a real‐life sample. Similarly, the control experiments with nonimmune antibody Troponin I are not showing the definite current responses, proving the selective identification of CRP. This method of diagnosing is needful to determine the cardiovascular injury at the right time.
Relationship between Sphk1/S1P and microRNAs in human cancers
Authors: Khoei Saeideh Gholamzadeh , Sadeghi Hamid , Samadi Pouria , Najafi Rezvan , Saidijam Massoud 
Published: April 2020

AbstractSphingosine kinases type 1 (SphK1) is a key enzyme in the phosphorylation of sphingosine to sphingosine 1‐phosphate (S1P). Different abnormalities in SphK1 functions may correspond with poor prognosis in various cancers. Additionally, upregulated SphK1/S1P could promote cancer cell proliferation, angiogenesis, mobility, invasion, and metastasis. MicroRNAs as conserved small noncoding RNAs play major roles in cancer initiation, progression, metastasis, etc. Their posttranscriptionally mechanisms could affect the development of cancer growth or tumorigenesis suppression. The growing number of studies has described that various microRNAs can be regulated by SphK1, and its expression level can also be regulated by microRNAs. In this review, the relationship of SphK1 and microRNA functions and their interaction in human malignancies have been discussed. Based on them novel treatment strategies can be introduced.
Gene expression studies of Saccharum spontaneum, a wild relative of sugarcane in response to salinity stress
Authors: Kasirajan Lakshmi , Valiyaparambth Rabisha , Velu Janani , Hari Haritha , Srinivasavedantham Vasantha , Athaiappan Selvi 
Published: April 2020

AbstractThe study is aimed to assess the morphological, physiological, and molecular responses of seven Saccharum spontaneum clones for salinity stress. These clones (IND‐07‐1462, IND‐07‐1465, IND‐07‐1470, IND‐07‐1471, IND 16–1761, IND 16–1762, and IND 16–1763) were subjected to salinity stress at two different concentrations of electrical conductivity 6 and 8 ds/m after 60 days of planting. All seven genotypes showed a decrease in relative water content and nitrate reductase activity with an increase in severity of salt stress. The effect was more pronounced in IND‐07‐1471, while IND‐16‐1762 exhibited only a minimum drop. Similarly we observed an increase in proline content and lipid peroxidation activity for the genotype IND‐07‐1471, while IND‐16‐1762 showed minimum increase. Molecular profiling of genes/transcription factors like salt overly sensitive, responsive to abscissic acid, dirigent, myeloblastosis, ethylene responsive factor associated with salinity stress tolerance showed 19‐, 18‐, 17‐, 10‐, and 9‐fold increased expression at 8 ds/m of salinity stress, respectively, in IND‐16‐1762 showed. Based on the evidences obtained from expression profiling, we have cloned the conserved regions of RAB and SOS1 genes. The domain of SOS and RAB was identified as a regulatory subunit of cAMP‐dependent protein kinases which is involved in a signaling pathway.
The effect of amino acid supplementation in an industrial Chinese Hamster Ovary process
Authors: Horvat Jernej , Narat Mojca , Spadiut Oliver 
Published: April 2020

AbstractThe main goal in biosimilar development is to increase Chinese Hamster Ovary (CHO) viability and productivity while maintaining product quality. Despite media and feed optimization during process development, depletion of amino acids still occurs. The aim of the work was to optimize an existing industrial fed batch process by preventing shortage of amino acids and to gather knowledge about CHO metabolism. Several process outputs were evaluated such as cell metabolism, cell viability, monoclonal antibodies (mAbs) production, and product quality. First step was to develop and supplement an enriched feed containing depleted amino acids. Abundance of serine and glucose increased lactate production resulting in low viability and low productivity. In the next step, we developed an amino acid feed without serine to avoid the metabolic boost. Supplemented amino acids improved cell viability by 9%; however, mAb production did not increase significantly. In the final step, we limited glucose concentration (<5.55 mmol/L) in the cell culture to avoid the metabolic boost while supplementing an amino acid feed including serine. Data analysis showed that we were able to (a) replace depleted amino acids and avoid metabolic boost, (b) increase viability by 12%, (c) enhance mAb production by 0.5 g/L (total by approximately 10 g), and (d) extend the overall process time of an already developed bioprocess.
Single‐Molecule Study of Peptides with the Same Amino Acid Composition but Different Sequences by Using an Aerolysin Nanopore
Authors: Hu Fangzhou , Angelov Borislav , Li Shuang , Li Na , Lin Xubo , Zou Aihua 
Published: April 2020

AbstractNanopores are original sensors employed for highly sensitive peptides/proteins detection. Herein, we describe the use of an aerolysin nanopore to identify two similar model peptides, YEQYEQQDDDRQQQ (YEQ2Q3) and QDDDRQQQYEQYEQ (Q3YEQ2), with the same amino acid composition but different sequences. All‐atom molecular dynamics (MD) simulations reveal that YEQ2Q3 possesses fewer hydrogen bonds and a more extended conformation than Q3YEQ2. These two peptides, which fold differently, exhibit obviously distinct mass‐independent current blockades with characteristic dwell times when entering the aerolysin nanopore. Typically, at +60 mV, the statistical dwell time of 0.630±0.018 ms for peptide Q3YEQ2 is four times longer than the value of 0.160±0.001 ms for peptide YEQ2Q3, and yet peptide YEQ2Q3 induces ∼1.9 % larger blockade current amplitude than peptide Q3YEQ2. The obtained results show the remarkable potential of aerolysin nanopore for peptides/proteins identification, characterization, sequencing and also demonstrate that the mass identification of nonuniformly charged peptides/proteins by using the nanopore technique could be complicated by their folded structure and complex analyte‐pore interaction.
Study on the effects of sugar alcohols and Angelica keiskei flour on cookie quality, antioxidant, and nutrition
Authors: Gong Shengxiang , Xu Bei , Gu Xinzhe , Li Wenhui , Yu Ying , Zhang Wei , Wang Zhengwu 
Published: April 2020

AbstractBackground and objectivesLow‐glycemic index (GI) functional foods have great industrial potential, as obesity has become an important global public health issue. In this study, the effects of replacing sucrose with maltitol, xylitol, and erythritol on the quality, antioxidant, and nutrition of Angelica keiskei cookies were investigated.FindingsThe color and textural parameters of cookies formulated with xylitol and erythritol were significantly (p < .05) different from those of the sucrose cookies, while the cookies made with maltitol showed the color, hardness, and brittleness values closest to the sucrose cookies. Additionally, the cookies formulated with the three sugar alcohols showed lower acid value and peroxide value than the sucrose control. The results of functional analyses showed that A. keiskei flour further enhanced the antioxidant activity and α‐amylase inhibitory activity of the maltitol cookies beyond that of maltitol alone. The maltitol A. keiskei cookies showed the lowest pGI of 53.9.ConclusionsThe cookie formulated with maltitol showed good quality and storability characteristics. Additionally, the incorporation of maltitol and A. keiskei flour in the cookie recipe significantly increased the antioxidant activity and α‐amylase inhibitory activity of the cookies and reduced their glycemic index.Significance and noveltyMaltitol could be considered to be an acceptable sucrose substitute for developing A. keiskei cookies. Furthermore, maltitol and A. keiskei flour are considered to be appropriate ingredients for the development of low‐GI functional cookies.
Spontaneous, isolated, and gaze‐evoked ocular flutter: A rare case report
Authors: Vavougios George D. , Pelidou Sygkliti‐Henrietta , Mavromatis Thomas , Mandras Dimitrios , Ntoskas Triantafyllos 
Published: April 2020

AbstractThis case illustrates the need to correctly identify oscillopsia among cases of self‐reported dizziness, and ocular flutter itself as a presenting sign of potentially serious underlying disease. The neurologist should approach these patients in a systematic manner, in order to exclude concurrent or impending comorbidities such as neoplastic disease.
Insight into the Selective Conversion via a Steered Adsorption and Protonation from Tantalates‐based Solid Acid's Intrinsic Proton for Hydride‐transfer Reduction
Authors: Ma Yuxuan , He Dan , Le Shukun , Wang Chunyan , Wang Xiaojing 
Published: April 2020

AbstractBrønsted solid acids have popularly been used as catalysts or supports for many hydrogenation reactions, while it is uncertain if their structural H species could significantly enhance velocity and reusability for these reactions. In this work, a series of tantalate‐supported silver catalysts Ag/MxH2–xTa2O6 (M=H, Li, Na, K, Sr) were prepared, along with abundant solid acid catalysts (Ag/Al2O3, Ag/SiO2−Al2O3, Ag/ZrO2−SO42−, and Ag/heteropolyacid). By assessing activity of a model reaction from p‐nitrophenol to the corresponding aniline together with an isotope comparative test (Ag/D2Ta2O6 and Ag/H2Ta2O6), a previously unknown route was uncovered, which involves that intrinsic proton H species of the Brønsted solid acid support directly participate in the formation of products. Meanwhile, Ag NPs could form an embedded distribution by exchanging with structural H species, responsible for the stabilization of catalytic active sites. The results reported here could give a deep understanding on proton chemistry of solid acids in construction of catalysts and/or supports in H‐participating reactions.
Optimization and control of vertical double wall dividing‐wall column for separating a quaternary system
Authors: Wang Honghai , Zhou Qi , Su Weiyi , Ji Pengyu , Wang Zhao , Li Chunli 
Published: April 2020

AbstractIn this paper, the new separation structure (VDWDWC) for separation of a quaternary system is proposed for the first time, which has lower energy consumption and higher separation efficiency than the traditional three‐column and Kaibel column. Sensitivity analysis and response surface optimization (RSM) are applied to the structural design and parameter optimization of VDWDWC. In addition, the dynamic control of VDWDWC is also investigated. Specifically, the performances of temperature‐composition cascade control (TC‐CC) with and without feed‐forward ratio control are compared and analyzed. The results suggested that the TC‐CC structure can achieve outstanding controllability for VDWDWC, when the feed flow rate and feed composition is disturbed. In particular, TC‐CC with feed‐forward ratio control has better dynamic response: the maximum deviation was reduced by 53.7%, and the settling times are significantly shortened, while the steady state deviation of product purity was slightly reduced.
Tuning the hydrogen storage properties of TiFe clusters via Zr substitution
Authors: Kumar Vinit , Kumar Punit , Pati Subhasis , Sharma Pratibha , Takahashi Keisuke 
Published: April 2020

AbstractTitanium‐Iron alloy is a well‐known material for hydrogen storage applications at room temperature. The limitations of TiFe alloy is its low hydrogen storage capacity, higher activation temperature, and pressure. In order to improve the hydrogen adsorption of TiFe alloy, TiFe clusters with Zr atom as a dopant are investigated using first‐principle calculations. The structure of the Zr‐substituted and unsubstituted clusters was optimized and it is found that the binding energy of the Zr‐substituted TiFe clusters is higher than TiFe clusters, thus, the doping Zr atom stabilizes the TiFe clusters. Hydrogen adsorption over Zr doped TiFe cluster is investigated, where, Zr is revealed to be an active site for hydrogen adsorption except Ti3Zr1Fe4cluster. Hence, Zr substitution stabilizes the TiFe clusters and hydrogen storage properties were tuned by the introduction of the Zr atom.
Toxicity of Different Zinc Oxide Nanomaterials at 3 Trophic Levels: Implications for Development of Low-Toxicity Antifouling Agents
Authors: Dobretsov Sergey , Sathe Priyanka , Bora Tanujjal , Barry Michael , Myint Myo Tay Zar , Abri Mohammed Al 
Published: April 2020

Abstract
Because zinc oxide (ZnO) nanomaterials are used in antifouling and antibacterial solutions, understanding their toxic effects on different aquatic organisms is essential. In the present study, we evaluated the toxicity of ZnO nanoparticles of 10 to 30 nm (ZnONPI) and 80 to 200 nm (ZnONPII), ZnO nanorods (width 80 nm, height 1.7 µm) attached to the support substrate (glass, ZnONRG) and not attached (ZnONRS), as well as Zn2+ ions at concentrations ranging from 0.5 to 100 mg/L. Toxicity was evaluated using the microalga Dunaliella salina, the brine shrimp Artemia salina, and the marine bacterium Bacillus cereus. The highest toxicity was observed for ZnONPs (median lethal concentration [LC50] ~15 mg/L) and Zn2+ ions (LC50 ~13 mg/L), whereas the lowest toxicity found for ZnO nanorods (ZnONRG LC50 ~60 mg/L; ZnONRS LC50 ~42 mg/L). The presence of the support substrate in case of ZnO nanorods reduced the associated toxicity to aquatic organisms. Smaller ZnONPs resulted in the highest Zn2+ ion dissolution among tested nanostructures. Different aquatic organisms responded differently to ZnO nanomaterials, with D. salina and B. cereus being more sensitive than A. salina. Toxicity of nanostructures increased with an increase of the dose and the time of exposure. Supported ZnO nanorods can be used as a low-toxicity alternative for future antimicrobial and antifouling applications. Environ Toxicol Chem 2020;39:1343–1354. © 2020 SETAC
Abstract
The effect of different zinc oxide nanomaterials on the survival of organisms at 3 trophic levels.
Evaluation of Residues in Hen Eggs After Exposure of Laying Hens to Water Containing Per- and Polyfluoroalkyl Substances
Authors: Wilson Timothy B. , Stevenson Gavin , Crough Robert , de Araujo Jesuina , Fernando Nilhan , Anwar Arif , Scott Tyrone , Quinteros José A. , Scott Peter C. , Archer Michael J.G. 
Published: April 2020

Abstract
Per- and polyfluoroalkyl substances (PFAS) have been used in aqueous film-forming foams used in firefighting, resulting in soil and groundwater contamination and leading to human exposure via animal products grown in contaminated areas. The present study reports the relationship between PFAS intake by hens and the PFAS concentrations in the edible parts of eggs. Laying hens were exposed via drinking water to different concentrations of 4 PFAS compounds (perfluorooctane sulfonate [PFOS], perfluorohexane sulfonate [PFHxS], perfluorooctanoic acid [PFOA], and perfluorohexanoic acid) over 61 d. Egg PFAS residues were assessed for a further 30 d after exposure ceased. The target concentrations of PFAS were 0, 0.3, 3, 30, and 300 µg/L for the treatment groups T1–T5, respectively; and PFAS residues were determined from the eggs collected every second day. There was a linear correlation between the PFAS concentrations in the drinking water of hens and those detected in the egg, which could be useful in estimating PFAS concentrations in the egg by measuring water concentrations. Exposure of hens to drinking water with PFAS concentrations below the Australian Government Department of Health limits (PFOS and PFHxS, 0.07 µg/L; PFOA, 0.56 µg/L), and with no other sources of PFAS exposure, is unlikely to result in egg PFAS concentrations that would exceed the 10% limit set by Food Standards Australia New Zealand for human consumption. Environ Toxicol Chem 2021;40:735–743. © 2020 SETAC
Prediction of Soil Adsorption Coefficient in Pesticides Using Physicochemical Properties and Molecular Descriptors by Machine Learning Models
Authors: Kobayashi Yoshiyuki , Uchida Takumi , Yoshida Kenichi 
Published: April 2020

Abstract
The soil adsorption coefficient (KOC) plays an important role in environmental risk assessment of pesticide registration. Based on this risk assessment, applied and registered pesticides can be allowed in the European Union. Almost 1 yr is required to study and obtain the KOC value of a pesticide. Furthermore, acquiring the KOC requires a large cost. It is necessary to efficiently estimate the KOC value in the early stages of pesticide development. In the present study, the experimental values of physicochemical properties and molecular descriptors of chemical structures were collected to develop a quantitative structure–property relationship (QSPR) model, and the prediction performance of the model was evaluated. More specifically, we compared the accuracies of models based on a gradient boosting decision tree, multiple linear regression, and support vector machine. The experimental results suggest that it is possible to develop a QSPR model with high accuracy using both the molecular descriptors calculated from the structural formula and experimental values of physicochemical properties from open literature and databases. Comparing to the previously established models, we achieved high prediction accuracy, fitness, and robustness by only using freeware. Therefore, our developed QSPR models can be useful preliminary risk assessment in the early developmental stages of pesticides. Environ Toxicol Chem 2020;39:1451–1459. © 2020 SETAC
Abstract
The soil adsorption coefficient was predicted using physicochemical properties and molecular descriptors by machine learning models. EFSA = European Food Safety Authority; GBDT = gradient boosting decision tree; KOC = soil adsorption coefficient; MLR = multiple linear regression; SVM = support vector machine; USEPA = US Environmental Protection Agency.
Magnetohydrodynamics boundary layer flow and heat transfer in porous medium past an exponentially stretching sheet under the influence of radiation
Authors: Rajput Govind R. , Jadhav Bipin P. , Salunkhe S. N. 
Published: April 2020

AbstractBuoyancy forces result from the cooling or heating of a continuous stretching sheet, which causes a change in the resulting flow and thermal fields, and hence the heat transfer behavior in the manufacturing process. The study of the thermal buoyancy induced in boundary layer flow is important due to its recent advances in the areas of nuclear energy, electronics, and space technology. In this perspective, the aim of the present study is to investigate the effect of the buoyancy parameter on the magnetohydrodynamics boundary layer flow over an exponentially stretched sheet in the presence of nonlinear thermal radiation and porous media. Using similarity transformation, the flow model of partial differential equations is transformed into a set of coupled nonlinear ordinary differential equations. The efficient fourth‐order Runge‐Kutta scheme with the shooting method is used to solve the reduced equations. The impact of various associated parameters on velocity and temperature profiles were analyzed and computed through graphs. The major outcome of the present study shows the enhancement in the velocity distribution with the increase in the buoyancy parameter. Also, the increase in thermal buoyancy and thermal radiation leads to an increase in fluid temperature. Moreover, it is worth to note that the fluid velocity declines with the augmentation of the magnetic parameter.
Modeling and validation of heat transfer in packed bed with internal heat generation
Authors: Kulkarni Niraj J. , Mandal Debapriya , Mathpati Channamallikarjun S. , Dalvi Vishwanath H. 
Published: April 2020

AbstractSeveral researchers have modeled the heat transfer in a packed bed, heated externally, and determined its effective thermal conductivity (). But till date, very few researchers have studied the heat transfer of the pebble bed, where the heat is generated inside the bed; and the effective thermal conductivity of the packed bed with internal heat generation has not yet been reported. In the present work, heat generation inside the bed has been imitated by inductively heating randomly placed steel balls with lithium titanate () pebbles. The system has been modeled and validated with experimental results. The of the pebble bed is determined for various process conditions. A correlation has been developed to calculate the based on various process parameters such as pebble diameter, air flow rate, and induction temperature. The result presented in this study will be used for the design and scale‐up studies of future fusion reactors.