bluuebunny/crossref_metadata_2025_split huggingface dataset:
A novel nicotinamide adenine dinucleotide control strategy for increasing the cell density of Haemophilus parasuis
Authors: Cheng Likun , Li Feng , Li Shuguang , Lin Chuwen , Fu Qiang , Yin Huanhuan , Tian Fengrong , Qu Guanggang , Wu Jiaqiang , Shen Zhiqiang 
Published: February 2019

AbstractHaemophilus parasuis is the causative agent of Glässer's disease and is a major source of economic losses in the swine industry each year. To enhance the production of an inactivated vaccine against H. parasuis, the availability of nicotinamide adenine dinucleotide (NAD) must be carefully controlled to ensure a sufficiently high cell density of H. parasuis. In the present study, the real‐time viable cell density of H. parasuis was calculated based on the capacitance of the culture. By assessing the relationship between capacitance and viable cell density/NAD concentration, the NAD supply rate could be adjusted in real time to maintain the NAD concentration at a set value based on the linear relationship between capacitance and NAD consumption. The linear relationship between cell density and addition of NAD indicated that 7.138 × 109 NAD molecules were required to satisfy per cell growth. Five types of NAD supply strategy were used to maintain different NAD concentration for H. parasuis cultivation, and the results revealed that the highest viable cell density (8.57, OD600) and cell count (1.57 × 1010 CFU/mL) were obtained with strategy III (NAD concentration maintained at 30 mg/L), which were 1.46‐ and 1.45‐ times more, respectively, than cultures with using NAD supply strategy I (NAD concentration maintained at 10 mg/L). An extremely high cell density of H. parasuis was achieved using this NAD supply strategy, and the results demonstrated a convenient and reliable method for determining the real‐time viable cell density relative to NAD concentration. Moreover, this method provides a theoretical foundation and an efficient approach for high cell density cultivation of other auxotroph bacteria.
Higher inositol phosphates and total oxalate of cookies containing fruit by‐products and their influence on calcium, iron, and zinc bioavailability by Caco‐2 cells
Authors: de Toledo Nataly Maria Viva , Brigide Priscila , López‐Nicolás Rubén , Frontela Carmen , Ros Gaspar , Canniatti‐Brazaca Solange Guidolin 
Published: February 2019

AbstractBackground and objectivesFruit by‐products have been used as a strategy to increase the mineral content of cookies. However, to admit functionality in the organism, these minerals must be bioavailable. Therefore, this study aimed to evaluate the effect on the mineral bioavailability (calcium, iron, and zinc) of cookies prepared with partial replacement of wheat flour by fruit by‐products (melon peel, apple endocarp, and pineapple central axis).FindingsCookies containing fruit by‐products presented lower levels of phytate and oxalate when compared to the control. The use of pineapple by‐product in cookies increased zinc retention (26.40%). Cookies containing melon by‐product presented a higher uptake for iron (2.14%). Cookies with apple by‐product demonstrated the highest transport (0.06% and 9.71%) and uptake (2.92% and 15.52%) efficiencies for calcium and zinc, respectively.ConclusionsThe use of fruit by‐products in cookie formulations was associated with an improvement in the mineral bioavailability, which may represent nutritional and functional benefits for this foodstuff.Significance and noveltyAlthough some studies contemplate the use of fruit by‐products to increase the mineral content of cookies, the determination of their antinutrients and the effects on the mineral bioavailability measured by Caco‐2 cells are not widely explored in the literature.
Towards Selective Syntheses of Octadienylethers from the Butadiene Palladium‐catalyzed Telomerization with Polyols in Aqueous Biphasic Medium
Authors: Drelon Mathieu , Mérel Delphine S. , Mortreux André , Suisse Isabelle , Sauthier Mathieu 
Published: February 2019

AbstractThe palladium catalyzed telomerization of butadiene with polyols has been efficiently performed under aqueous and biphasic medium leading to the corresponding octadienylethers. Depending on the choice of the organic co‐solvent and nature of the catalyst employed to promote the reaction, mono‐ to fully substituted ethers could be obtained with high selectivities and yields. Particularly, pentaerythritol was telomerized for the first time allowing the selective synthesis of the corresponding monotelomers by using methylethylketone as organic co‐solvent and the water soluble ligand TPPTS associated to a simple palladium precursor. Polyethers of sorbitol could be efficiently obtained by using a mixture of TPPTS and PPh3 ligands.
Conformational Dynamics Underlies Different Functions of Human KDM7 Histone Demethylases
Authors: Chaturvedi Shobhit S. , Ramanan Rajeev , Waheed Sodiq O. , Ainsley Jon , Evison Martin , Ames Jennifer M. , Schofield Christopher J. , Karabencheva‐Christova Tatyana G. , Christov Christo Z. 
Published: February 2019

AbstractThe human KDM7 subfamily histone H3 Nϵ‐methyl lysine demethylases PHF8 (KDM7B) and KIAA1718 (KDM7A) have different substrate selectivities and are linked to genetic diseases and cancer. We describe experimentally based computational studies revealing that flexibility of the region linking the PHD finger and JmjC domains in PHF8 and KIAA1718 regulates interdomain interactions, the nature of correlated motions, and ultimately H3 binding and demethylation site selectivity. F279S an X‐linked mental retardation mutation in PHF8 is involved in correlated motions with the iron ligands and second sphere residues. The calculations reveal key roles of a flexible protein environment in productive formation of enzyme‐substrate complexes and suggest targeting the flexible KDM7 linker region is of interest from a medicinal chemistry perspective.
Covalent Inhibition in Drug Discovery
Authors: Ghosh Avick Kumar , Samanta Indranil , Mondal Anushree , Liu Wenshe Ray 
Published: February 2019

AbstractAlthough covalent inhibitors have been used as therapeutics for more than a century, there has been general resistance in the pharmaceutical industry against their further development due to safety concerns. This inclination has recently been reverted after the development of a wide variety of covalent inhibitors to address human health conditions along with the US Food and Drug Administration (FDA) approval of several covalent therapeutics for use in humans. Along with this exciting resurrection of an old drug discovery concept, this review surveys enzymes that can be targeted by covalent inhibitors for the treatment of human diseases. We focus on protein kinases, RAS proteins, and a few other enzymes that have been studied extensively as targets for covalent inhibition, with the aim to address challenges in designing effective covalent drugs and to provide suggestions in the area that have yet to be explored.
A comparative study of methods used to generate the arterial fiber structure in a clinically relevant numerical analysis
Authors: Misiulis Edgaras , Džiugys Algis , Navakas Robertas , Petkus Vytautas 
Published: February 2019

AbstractThe advanced constitutive material models of artery wall require the definition of the mean collagen fiber directions in the material configuration. There are several proposed methods; however, it is unclear how much does the fiber structures obtained by these methods differ one from the other and how much this difference may affect the results of the structural analysis of a clinically relevant scenario. Therefore, in this paper, we address this issue by presenting the results of the comparative study of our developed and currently state‐of‐the‐art fiber definition methods. In addition, we present the verification of our developed numerical model that incorporates the extended Holzapfel‐Gasser‐Ogden (HGO) constitutive material model and the generalized prestressing algorithm (GPA). In the case of the patient‐specific internal carotid artery (ICA), the percentage error of the mean fiber directions defined by different methods does not exceed 17.73% (at least 0.05%, at most 81.82%) and has negligible effect on the stress levels, as the percentage error of the mean circumferential Cauchy stress does not exceed 0.1%. Both fiber definition methods produce comparable fiber structure, but our proposed method has an advantage, as it does not depend on method and software used to model the arterial wall mechanics.
Reflective color reduction using genetic algorithm optimization
Authors: Xu Zhiling , Brill Michael H. 
Published: February 2019

AbstractA subset of colors often needs to be selected to represent a full set. In one such application, a multi‐band color sensor is used to measure reflective color samples, and a matrix transformation method is used to recover the reflectance spectrum of the measured sample. To achieve this, a group of training colors needs to be selected to calculate the transformation matrix. A genetic algorithm (GA) has been developed to optimize the selection of the subset of training colors, and the result is compared with those obtained using random selection or a traditional culling algorithm. In a simulation study, the GA gives better results.
An equal‐area triangulated partition method for parallel Xdraw viewshed analysis
Authors: Dou Wanfeng , Li Yanan , Wang Yanli 
Published: February 2019

SummaryThis paper presents an effective equal‐area triangulated partition method (EATP) for parallel viewshed computation based on Xdraw algorithm that is a viewshed analysis algorithm with lower overhead. Our approach is to first partition the target domain into eight 45° octants along a coordinate‐axis direction and diagonal line direction around a given observer. Each octant remains mutually independent on data dependency based on the principle of Xdraw algorithm. Then, each octant is repartitioned into equal‐area sub‐regions with the shape of the triangle according to the requirements of system platform such as the number of computing nodes or processors and the size of memory of each node. Our method is beneficial to group these triangle sub‐regions for determination of their dependent relationships during the computation of visibility and distribution of each triangle sub‐region to a suitable node. The unified expression of the sub‐regions is simple for implementation of parallel Xdraw viewshed algorithm. The experimental results are evaluated to demonstrate a distinct improvement in computation performance compared with other partition methods such as equal‐angle and simple equal‐area methods.
Light‐Induced Pulsed EPR Dipolar Spectroscopy on a Paradigmatic Hemeprotein
Authors: Dal Farra Maria Giulia , Richert Sabine , Martin Caterina , Larminie Charles , Gobbo Marina , Bergantino Elisabetta , Timmel Christiane R. , Bowen Alice M. , Di Valentin Marilena 
Published: February 2019

AbstractLight‐induced pulsed EPR dipolar spectroscopic methods allow the determination of nanometer distances between paramagnetic sites. Here we employ orthogonal spin labels, a chromophore triplet state and a stable radical, to carry out distance measurements in singly nitroxide‐labeled human neuroglobin. We demonstrate that Zn‐substitution of neuroglobin, to populate the Zn(II) protoporphyrin IX triplet state, makes it possible to perform light‐induced pulsed dipolar experiments on hemeproteins, extending the use of light‐induced dipolar spectroscopy to this large class of metalloproteins. The versatility of the method is ensured by the employment of different techniques: relaxation‐induced dipolar modulation enhancement (RIDME) is applied for the first time to the photoexcited triplet state. In addition, an alternative pulse scheme for laser‐induced magnetic dipole (LaserIMD) spectroscopy, based on the refocused‐echo detection sequence, is proposed for accurate zero‐time determination and reliable distance analysis.
Specific Ion and Concentration Effects in Acetate Solutions with Na+, K+ and Cs+
Authors: Friedman Ran 
Published: February 2019

AbstractHow salt ions affect solutes and the water beyond the solvation shell is not well understood. Molecular dynamics simulations of alkali‐acetate solutions were analysed here in order to examine if, and how, different cations and solute concentrations affect the water structure and the interactions between water and acetates. The results revealed that water structure is perturbed to more than 1 nm away from the acetates and that this effect is more pronounced in physiological than in molar electrolyte concentrations. Analysis of simulations of a soluble protein revealed that the water orientation is perturbed to at least 1.5 nm from the protein structure. Furthermore, modifications to the orientation of water around carboxylate side chains were shown to depend on the local environment on the protein surface, and could extend to well over 1 nm, which may have an effect on protein dynamics during MD simulations in small water boxes.
Multifunctional Clickable Reagents for Rapid Bioorthogonal Astatination and Radio‐Crosslinking
Authors: Denk Christoph , Wilkovitsch Martin , Aneheim Emma , Herth Matthias M. , Jensen Holger , Lindegren Sture , Mikula Hannes 
Published: February 2019

AbstractIn the past decade, several developments have expanded the chemical toolbox for astatination and the preparation of 211At‐labeled radiopharmaceuticals. However, there is still a need for advanced methods for the synthesis of astatinated (bio)molecules to address challenges such as limited in vivo stability. Herein, we report the development of multifunctional 211At‐labeled reagents that can be prepared by applying a modular and versatile click approach for rapid assembly. The introduction of tetrazines as bioorthogonal tags enables rapid radiolabeling and radio‐crosslinking, which is demonstrated by steric shielding of 211At to significantly increase label stability in human blood plasma.
Iterative channel estimation and pilot design rules for high‐mobility comb‐pilot OFDM system
Authors: Jin Jie , Chen Meihao , Jiang Xiaoxiao , Ai Baoli , Wu Enkai 
Published: February 2019

SummaryWith wireless communications in high‐mobility environment becoming popular, this poses a big challenge for communication systems based on the comb‐pilot OFDM, such as IEEE 802.11p, since it has not the enough pilots to estimate the time‐ and frequency‐selective channel accurately. In this paper, several comb‐pilot schemes and three comb‐pilot design rules are proposed to meet the Nyquist criterion for sampling the vehicle‐to‐vehicle (V2V) channel and the requirements of second‐order statistic of V2V channel. Based on the proposed pilot schemes, an iterative channel estimation method from the CE‐BEM model is proposed, together with three ICI cancellation methods. After thorough simulation, the effectiveness of the comb‐pilot design rules, the proposed channel estimation method, and intercarrier interference (ICI) cancellation methods is verified. Compared with other channel estimation methods, the proposed method performs better. The simulation results also reveal that the channel order L+1 has a great impact on the performance of the comb‐pilot OFDM system.
Refugees in the media: Exploring a vicious cycle of frustrated psychological needs, selective exposure, and hostile intergroup attitudes
Authors: Lueders Adrian , Prentice Mike , Jonas Eva 
Published: February 2019

AbstractTwo research objectives underlay the present research. First, we tested how frustrated psychological needs caused by the refugee‐influx influence the endorsement and selection of refugee‐relevant information. Second, we tested how information selection processes contribute to the development of exclusionary attitudes that counteract the integration of refugees into host countries. In a laboratory study (n = 181), frustrated psychological needs decreased participants’ endorsement of a refugee‐friendly essay (vs. a control essay). Additionally, frustrated needs led to a biased selection of refugee‐hostile over refugee‐friendly information and such selection biases, in turn, predicted higher levels of ingroup defense and prejudice toward refugees. The findings imply that host societies’ receptiveness to refugees is influenced by the maintenance of basic psychological needs.
Oxygen Evolution Reaction on Nanoporous Gold Modified with Ir and Pt: Synergistic Electrocatalysis between Structure and Composition
Authors: Wang Yumi , Kim Jongwon 
Published: February 2019

AbstractActive oxygen evolution reaction electrocatalysts for water splitting have received great attention because of their importance in the utilization of renewable energy sources. Here, the electrochemical oxygen evolution reaction activities of a nanoporous gold (NPG)‐based electrode in acidic media are investigated. The dependence of the oxygen evolution reaction activity on the NPG surface area shows that the large electrochemical surface areas of the NPG are effectively utilized to enhance electrocatalytic activity. The NPG surfaces are modified with Pt using atomic layer electrodeposition methods, and the resulting NPG@Pt exhibited enhanced electrocatalytic activities compared to those of the NPG and flat Pt electrodes. Ir‐modified NPG (NPG@Ir) electrodes are prepared by spontaneous exchange of Ir on NPG surfaces and exhibit enhanced electrocatalytic activity compared to that of flat Ir surfaces. The modification of NPG@Pt with Ir results in NPG@Pt/Ir electrodes, and their electrocatalytic activities exceed those of NPG@Ir. The enhanced oxygen evolution reaction activity on NPG@Pt/Ir over that on NPG@Ir surfaces is examined by X‐ray photoelectron spectroscopy. The oxygen evolution reaction activity on NPG@Pt/Ir surfaces demonstrates synergistic electrocatalysis between the nanoporous surface structure and active electrocatalytic components.
Molecular Recognition of Aflatoxin M1 in Water and Milk Samples
Authors: Mincu Mariana , Stefan‐van Staden Raluca‐Ioana , van Staden Jacobus Frederick 
Published: February 2019

AbstractTwo stochastic microsensors based on diamond paste modified with 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) were proposed for the molecular recognition of aflatoxin M1 in water and milk samples. Two types of diamond were used: a monocrystalline diamond powder (1 μm) (DP) and a nanopowder of monocrystalline diamond (10 nm) (nDP) for the design of the stochastic microsensors. The microsensors were incorporated as combined stochastic microsensors (a microcell containing the stochastic microsensor and the Pt wire, and a Ag/AgCl sensor) in a platform used for monitoring of waste waters and milk samples. The platforms were used for the fast screening of water and milk samples for the qualitative and quantitative analysis of aflatoxin M1 at very low concentration levels (up to 0.001 fg/L). The linear concentration ranges were wide, being able to cover concentrations between 0.001 fg/L to 20 μg/L. The highest sensitive microsensor (sensitivity of 4.74×1010 s mg−1 L) was the one based on nDP. The results provided by the platforms were in agreement with those obtained by utilization of standard method (ISO certified methods (HPLC/fluorescence method)), recoveries being higher than 99.00 % and RSD lower than 1.00 % proving that the method can be reliable used for molecular recognition of aflatoxin M1 in water and milk samples.
Elucidating fentanyls differentiation from morphines in chemical and biological samples with surface‐enhanced Raman spectroscopy
Authors: Wang Kai , Xu Bin , Wu Jianfeng , Zhu Yingjie , Guo Lei , Xie Jianwei 
Published: February 2019

AbstractFentanyl and morphine are opioid drugs as well as new psychoactive substances. Even originally introduced as efficient anesthetic drugs to relieve moderate‐to‐severe pain in clinic, the overdose of new synthetic opioids is currently a serious public health problem in numerous countries worldwide. The entire category of fentanyls has been included in the regulatory list in several countries. There is a great and urgent demand to rapidly recognize fentanyls and morphines in various samples. Here, we report an on‐site surface‐enhanced Raman spectroscopic method to classify fentanyls from morphines by the Raman spectroscopic signature of the molecular scaffold structure, with an assistance of principle component analysis algorithm. Moreover, by simple but fine‐tuning approach of inorganic salt‐induced aggregation of gold nanoparticles substrate, we achieved a selective detection of 10 ng/mL fentanyl from 2000‐fold of heroin, the most common coexisting substance in chemical samples. Good differentiation of 50 ng/mL fentanyl from 10 000‐fold morphine as a main metabolite of heroin in urine samples was also possible after a feasible pretreatment by StageTip procedures. Depending on different structures, the detection sensitivity of five fentanyls ranged from 50 to 2000 ng/mL.
Feasibility and acceptability of food‐based complementary feeding recommendations using Trials of Improved Practices among poor families in rural Eastern and Western Uganda
Authors: Bekele Hana , Turyashemererwa Florence 
Published: February 2019

AbstractInadequate complementary feeding practices are a major contributor to stunting among children in Uganda. The WHO recommends the promotion of local food‐based complementary feeding recommendations (FBCFRs) to address nutrient gaps during complementary feeding. This study tested the feasibility and acceptability of FBCFRs, using trials of improved practices (TIPs). Qualitative and quantitative methods were used in a cross‐sectional survey over three household visits. At first household visit, information on socio‐demographic factors and food frequency was collected and FBCFRs introduced. The second household visit assessed the use and barriers related to the FBCFRs, while the third household visit assessed the continued use of the FBCFRs. Focus group discussions and key informant interviews provided the insights into community norms on the FBCFRs. Most FBCFRs were feasible and acceptable. However, caretakers found it difficult to implement a full set of FBCFRs together with the recommended frequencies. Caretakers were more likely to try and continue using FBCFRs that had familiar methods of preparation and commonly used ingredients. Seasonality and cost were major barriers to use. Through TIPs, mothers demonstrated that they are open to try new ways of improving their children's nutrition.
Inhibition of MAPK/ERK pathway promotes oligodendrocytes generation and recovery of demyelinating diseases
Authors: Suo Na , Guo Yu‐e , He Bingqing , Gu Haifeng , Xie Xin 
Published: February 2019

AbstractOligodendrocytes (OLs) are the myelinating glia of the central nervous system. Injury to OLs causes myelin loss. In demyelinating diseases, such as multiple sclerosis, the remyelination is hindered principally due to a failure of the oligodendrocyte precursor cells (OPCs) to differentiate into mature OLs. To identify inducers of OPC to OL differentiation, a high‐throughput screening based on myelin basic protein expression using neural progenitor cells‐derived OPCs has been performed and, PD0325901—an MEK (MAPK kinase) inhibitor—is found to significantly enhance OPC to OL differentiation in a dose‐ and time‐dependent manner. Other MEK inhibitors also display similar effect, indicating blockade of MAPK–ERK signaling is sufficient to induce OPC differentiation into OLs. PD0325901 facilitates the formation of myelin sheaths in OPC–neuron co‐culture in vitro. And in experimental autoimmune encephalomyelitis model and cuprizone‐induced demyelination model, PD0325901 displays significant therapeutic effect by promoting myelin regeneration. Our results suggest that targeting the MAPK–ERK pathway might be an intriguing way to develop new therapies for demyelinating diseases.