bluuebunny/crossref_metadata_2025 huggingface dataset:
Hepatocellular carcinoma tumour burden score to stratify prognosis after resection
Authors: Tsilimigras D I , Moris D , Hyer J M , Bagante F , Sahara K , Moro A , Paredes A Z , Mehta R , Ratti F , Marques H P , Silva S , Soubrane O , Lam V , Poultsides G A , Popescu I , Alexandrescu S , Martel G , Workneh A , Guglielmi A , Hugh T , Aldrighetti L , Endo I , Sasaki K , Rodarte A I , Aucejo F N , Pawlik T M
Published: February 2020

Background

Although the Barcelona Clinic Liver Cancer (BCLC) staging system has been largely adopted in clinical practice, recent studies have emphasized the need for further refinement and subclassification of this system.

Methods

Patients who underwent hepatectomy with curative intent for BCLC-0, -A or -B hepatocellular carcinoma (HCC) between 2000 and 2017 were identified using a multi-institutional database. The tumour burden score (TBS) was calculated, and overall survival (OS) was examined in relation to TBS and BCLC stage.

Results

Among 1053 patients, 63 (6·0 per cent) had BCLC-0, 826 (78·4 per cent) BCLC-A and 164 (15·6 per cent) had BCLC-B HCC. OS worsened incrementally with higher TBS (5-year OS 77·9, 61 and 39 per cent for low, medium and high TBS respectively; P < 0·001). No differences in OS were noted among patients with similar TBS, irrespective of BCLC stage (61·6 versus 58·9 per cent for BCLC-A/medium TBS versus BCLC-B/medium TBS, P = 0·930; 45 versus 13 per cent for BCLC-A/high TBS versus BCLC-B/high TBS, P = 0·175). Patients with BCLC-B HCC and a medium TBS had better OS than those with BCLC-A disease and a high TBS (58·9 versus 45 per cent; P = 0·005). On multivariable analysis, TBS remained associated with OS among patients with BCLC-A (medium TBS: hazard ratio (HR) 2·07, 95 per cent c.i. 1·42 to 3·02, P < 0·001; high TBS: HR 4·05, 2·40 to 6·82, P < 0·001) and BCLC-B (high TBS: HR 3·85, 2·03 to 7·30; P < 0·001) HCC. TBS could also stratify prognosis among patients in an external validation cohort (5-year OS 79, 51·2 and 28 per cent for low, medium and high TBS respectively; P = 0·010).

Conclusion

The prognosis of patients with HCC varied according to the BCLC stage but was largely dependent on the TBS.
Motivational pathways underlying the onset and maintenance of viewing child pornography on the Internet
Authors: Knack Natasha , Holmes Dave , Fedoroff J. Paul
Published: February 2020

The staggering rate at which incidents of child pornography (CP) are increasing highlights the need for proactive approaches to this problem. Improving the efficacy and accessibility of interventions designed for individuals who view CP provides one means of addressing this growing concern. This article explores the self‐identified motivations underlying the onset and maintenance of viewing Internet‐based CP among a sample of 20 men receiving treatment for this behavior. Our findings suggest two primary motivational pathways, namely a desire to achieve sexual gratification and/or an attempt to avoid emotional pain. We propose a behavioral facilitation process, initiated by extensive exposure to Internet pornography, to explain the use of CP in men without a sexual interest in children. We also discuss factors that appeared to facilitate the maintenance of this behavior. Our findings indicate that social skills deficits, maladaptive coping strategies, and a lack of sexual education require further investigation regarding their role in promoting or precluding desistance from viewing CP.
Cardiofaciocutaneous syndrome with rare structural variant in DOCK8 gene associated with neurodevelopmental disorders
Authors: Dell'Edera Domenico , Debellis Lucantonio , Mitidieri Angela , Anna Epifania Annunziata , Cuscianna Eustachio , Allegretti Arianna
Published: February 2020

We describe a girl with clinical signs of cardiofaciocutaneous syndrome who simultaneously presents a mutation in the BRAF gene and a 9p24.3 microduplication. This genetic condition has never been described in the literature and could explain the phenotypic variability observed in the girl.
Selective Hydrogenation of Aromatic Ketone over Pt@Y Zeolite through Restricted Adsorption Conformation of Reactants by Zeolitic Micropores
Authors: Chen Qiang , Kang Haozhe , Liu Xuan , Jiang Kun , Bi Yunfei , Zhou Yiming , Wang Mengyue , Zhang Meng , Liu Lei , Xing Enhui
Published: February 2020

With thermodynamically favorable prevailing flat‐lying adsorption of aromatic ketone molecules on Pt/Y catalyst via π‐electron interaction, the 100 % selective hydrogenation toward aromatic alcohols is hardly achieved because of competitive hydrogenation on benzene rings. Here we developed a general method to prepare encapsulated Pt nanoparticles into Y Zeolite (Pt@Y), which provided a novel method to retard hydrogenation of benzene rings via thermodynamically unfavorable end‐on adsorption conformation for almost 100 % selectivity from aromatic ketones to aromatic alcohols even at conversion close to 100 %.
Regulating Aromatic Alcohols Distributions by Cofeeding Methanol with Ethanol over Cobalt‐Hydroxyapatite Catalyst
Authors: Zhou Bai‐Chuan , Wang Qing‐Nan , Weng Xue‐Fei , He Lei , Li Wen‐Cui , Lu An‐Hui
Published: February 2020

Aromatic alcohols, often used for the synthesis of plasticizers, coatings and pharmaceuticals, are currently produced from the oxidation of petroleum‐derived aromatic hydrocarbons. Herein, we report a non‐petroleum and environmentally friendly route for the production of aromatic alcohols: cofeeding methanol with ethanol over cobalt‐hydroxyapatite catalyst, in which the distribution of aromatic alcohols products can be regulated by varying methanol pressure. Co species on hydroxyapatite can activate both methanol and ethanol to yield their corresponding aldehydes (formaldehyde and acetaldehyde). The followed cross‐ and self‐condensations of aldehydes are catalyzed by hydroxyapatite to produce acrolein and 2‐butenal, which are the key intermediates for the formation of aromatic oxygenates. The sequential cross‐condensation and dehydrocyclization of acrolein and 2‐butenal yield benzaldehyde, which is then hydrogenated to benzyl alcohol. The direct production of benzyl alcohol from methanol and ethanol could be regarded as a cutting‐edge example, which ensures a promising route for sustainable aromatic alcohols production.
Additive‐Free Formic Acid Dehydrogenation Using a Pincer‐Supported Iron Catalyst
Authors: Curley Julia B. , Bernskoetter Wesley H. , Hazari Nilay
Published: February 2020

The iron complex (iPrPNMeP)Fe(H)2(CO) (iPrPNMeP=CH3N(CH2CH2PiPr2)2), which features a pincer ligand with a tertiary amine, can give up to 100,000 turnovers for additive‐free formic acid dehydrogenation (FADH). This is two orders of magnitude higher than any previously reported base metal system. Mechanistic studies reveal the catalytic reaction pathway and provide guidance for the development of improved catalytic systems for additive‐free FADH.
Comminution of Wood – Influence of Process Parameters
Authors: Eisenlauer Moritz , Teipel Ulrich
Published: February 2020

An essential element for sustainable use of renewable resources is an efficient comminution process for which the relation between energy input and size reduction is of great importance. Fine comminution of beech, oak, and spruce wood chips in cutting and hammer mills at different moisture content levels is investigated. The influence of the different process parameters as well as the size reduction performed by the hammer and cutting mill on the specific comminution energy is reported and the particulate properties of the comminution products are reported. Considering the energy requirements, functional relations were derived from the experimental results, which describe the relation between comminution energy and size reduction.
Numerical Investigation of Funicular Liquid Bridge Interactions Between Spherical Particles
Authors: Di Renzo Alberto , Picarelli Giada , Di Maio Francesco P.
Published: February 2020

In industrial processing of wet particulate materials, the liquid governs the formation, growth, and breakup of particle agglomerates. Pendular liquid bridges between two particles have been extensively investigated in the literature. Despite the interest, the complexities in the funicular regime, which involve multiple spheres, have remained mostly uncovered. Validated numerical simulations are utilized herein to examine funicular liquid bridge shapes, interaction forces, and rupture conditions as functions of the liquid volume, pressure difference, interparticle distance, and contact angle for three‐sphere and four‐sphere arrangements, including the presence of a particle of different size. The agglomerate strength is quantitatively characterized for a broad range of conditions.
Structure‐Guided Design of a Group B Streptococcus Type III Synthetic Glycan–Conjugate Vaccine
Authors: Oldrini Davide , del Bino Linda , Arda Ana , Carboni Filippo , Henriques Pedro , Angiolini Francesca , Quintana Jon I. , Calloni Ilaria , Romano Maria R. , Berti Francesco , Jimenez‐Barbero Jesus , Margarit Immaculada , Adamo Roberto
Published: February 2020

Identification of glycan functional epitopes is of paramount importance for rational design of glycoconjugate vaccines. We recently mapped the structural epitope of the capsular polysaccharide from type III Group B Streptococcus (GBSIII), a major cause of invasive disease in newborns, by using a dimer fragment (composed of two pentasaccharide repeating units) obtained by depolymerization complexed with a protective mAb. Although reported data had suggested a highly complex epitope contained in a helical structure composed of more than four repeating units, we showed that such dimer conjugated to a carrier protein with a proper glycosylation degree elicited functional antibodies comparably to the full‐length conjugated polysaccharide. Here, starting from the X‐ray crystallographic structure of the polysaccharide fragment–mAb complex, we synthesized a hexasaccharide comprising exclusively the relevant positions involved in binding. Combining competitive surface plasmon resonance and saturation transfer difference NMR spectroscopy as well as in‐silico modeling, we demonstrated that this synthetic glycan was recognized by the mAb similarly to the dimer. The hexasaccharide conjugated to CRM197, a mutant of diphtheria toxin, elicited a robust functional immune response that was not inferior to the polysaccharide conjugate, indicating that it may suffice as a vaccine antigen. This is the first evidence of an X‐ray crystallography‐guided design of a synthetic carbohydrate‐based conjugate vaccine.
Synthesis, Labeling and Preclinical Evaluation of a Squaric Acid Containing PSMA Inhibitor Labeled with 68Ga: A Comparison with PSMA‐11 and PSMA‐617
Authors: Greifenstein Lukas , Engelbogen Nils , Lahnif Hanane , Sinnes Jean‐Philippe , Bergmann Ralf , Bachmann Michael , Rösch Frank
Published: February 2020

The L‐lysine urea‐L‐glutamate (KuE) represents a key motif in recent diagnostic and therapeutic radiopharmaceuticals targeting the prostate specific membrane antigen (PSMA). Using a squaric acid moiety for coupling of KuE with a radioactive label, the squaric acid as a linker in the PSMA ligand seems to mimic the aromatic structure of the naphthylalanine unit on PSMA‐617. In this work, we investigate the influence of squaric acid moiety on the biological activity of the compound carrying a KuE motif and three typical chelates. The derivatives TRAM.SA.KuE, DOTAGA.SA.KuE and NODAGA.SA.KuE were all synthesized in straightforward organic reactions and purified by HPLC afterward. Different amounts of tracer were labeled at different temperatures with 68Ga. PET examinations were performed on NMRInu/nu nude mice with an LNCaP tumor on the right hind leg including ex vivo investigations of the organs. For comparison, 68Ga‐derivatives of PSMA‐11 and PSMA‐617, the derivatives most commonly used in clinics, were investigated in the same animal model.
Structure tuning method on deep convolutional generative adversarial network with nondominated sorting genetic algorithm II
Authors: Du Lei , Cui Zhihua , Wang Lifang , Ma Junming
Published: February 2020

Currently the generative adversarial networks (GANs) have rapidly become a popular research hotspot that people concerned and have been applied to various fields. Lots of meaningful work have been proposed and various variants of GANs sprung up in last few years. The scholars usually design GAN structure like the layers and hyperparameters setting according to the experience and constantly attempts. For the propose of finding the appropriate structure more conveniently and efficiently. A method with multiobjective algorithm is proposed to obtain the optimal structure for the GANs. In the proposed method, the nondominated sorting genetic algorithm II (NSGA‐II) is utilized to optimize the hyperparameters and structure of deep convolutional generative adversarial network (DCGAN). The experiments are conducted on MNIST and Malware datasets demonstrate the efficiency and high performance of proposed method.
Improving hexaploid spring wheat by introgression of alleles for yield component traits from durum wheat
Authors: Jones Brittney H. , Blake Nancy K. , Heo Hwa‐Young , Kalous Jay R. , Martin John M. , Torrion Jessica A. , Talbert Luther E.
Published: February 2020

Hexaploid bread wheat (Triticum aestivum L.) and tetraploid durum wheat (Triticum durum Desf.) have been cultivated in similar geographic areas for ∼10,000 yr. The crossing barrier caused by ploidy difference suggests that different favorable alleles for yield‐related traits may have accumulated in the two crops. Previous work allowed identification of favorable alleles at six quantitative trait loci (QTL) from durum wheat in a recombinant inbred line (RIL) population from a cross of ‘Mountrail’ durum and ‘Choteau’ spring wheat. The purpose of this study was to determine the impact of six durum alleles at yield component QTL in several spring wheat backgrounds. Three spring wheat cultivars were crossed with six hexaploid lines derived from the original Choteau/Mountrail cross to generate RILs. Heterozygous RILs, containing both the durum and the bread wheat alleles, were identified for each of the QTL. The heterozygous RILs were used to develop near‐isogenic lines (NILs) for the six introgressed QTL. The NILs were grown in five environments under irrigated and rainfed conditions in Montana in 2017 and 2018. A durum allele QTL on chromosome 3B resulted in increased kernel weight in all five environments. The introgressed durum QTL alleles caused pleiotropic interactions among yield component traits. Environment and genetic background significantly affected the stability of introgressed QTL on yield components for four of the six QTL. Results suggest that alleles from durum may be useful for yield improvement of hexaploid spring wheat. However, interrelationships of yield components, pleiotropic interactions, and environment will affect the value of durum wheat alleles in hexaploid wheat backgrounds.
Prospects of Value‐Added Chemicals and Hydrogen via Electrolysis
Authors: Garlyyev Batyr , Xue Song , Fichtner Johannes , Bandarenka Aliaksandr S. , Andronescu Corina
Published: February 2020

Cost is a major drawback that limits the industrial‐scale hydrogen production through water electrolysis. The overall cost of this technology can be decreased by coupling the electrosynthesis of value‐added chemicals at the anode side with electrolytic hydrogen generation at the cathode. This Minireview provides a directory of anodic oxidation reactions that can be combined with cathodic hydrogen generation. The important parameters for selecting the anodic reactions, such as choice of catalyst material and its selectivity towards specific products are elaborated in detail. Furthermore, various novel electrolysis cell architectures for effortless separation of value‐added products from hydrogen gas are described.
Should ecologists prefer model‐ over distance‐based multivariate methods?
Authors: Jupke Jonathan F. , Schäfer Ralf B.
Published: February 2020

Ecological data sets often record the abundance of species, together with a set of explanatory variables. Multivariate statistical methods are optimal to analyze such data and are thus frequently used in ecology for exploration, visualization, and inference. Most approaches are based on pairwise distance matrices instead of the sites‐by‐species matrix, which stands in stark contrast to univariate statistics, where data models, assuming specific distributions, are the norm. However, through advances in statistical theory and computational power, models for multivariate data have gained traction. Systematic simulation‐based performance evaluations of these methods are important as guides for practitioners but still lacking. Here, we compare two model‐based methods, multivariate generalized linear models (MvGLMs) and constrained quadratic ordination (CQO), with two distance‐based methods, distance‐based redundancy analysis (dbRDA) and canonical correspondence analysis (CCA). We studied the performance of the methods to discriminate between causal variables and noise variables for 190 simulated data sets covering different sample sizes and data distributions. MvGLM and dbRDA differentiated accurately between causal and noise variables. The former had the lowest false‐positive rate (0.008), while the latter had the lowest false‐negative rate (0.027). CQO and CCA had the highest false‐negative rate (0.291) and false‐positive rate (0.256), respectively, where these error rates were typically high for data sets with linear responses. Our study shows that both model‐ and distance‐based methods have their place in the ecologist's statistical toolbox. MvGLM and dbRDA are reliable for analyzing species–environment relations, whereas both CQO and CCA exhibited considerable flaws, especially with linear environmental gradients.
Left ventricular remodelling after ST‐segment elevation myocardial infarction: sex differences and prognosis
Authors: van der Bijl Pieter , Abou Rachid , Goedemans Laurien , Gersh Bernard J. , Holmes David R. , Ajmone Marsan Nina , Delgado Victoria , Bax Jeroen J.
Published: February 2020

Aims

Left ventricular (LV) remodelling after ST‐segment elevation myocardial infarction (STEMI) worsens outcome. The effect of sex on LV post‐infarct remodelling is unknown. We therefore investigated the sex distribution and long‐term prognosis of LV post‐infarct remodelling after STEMI in the contemporary era of primary percutaneous coronary intervention (PCI) and optimal pharmacotherapy.

Methods and results

Data were obtained from an ongoing primary PCI STEMI registry. LV remodelling was defined as ≥20% increase in LV end‐diastolic volume at either 3, 6, or 12 months post‐infarct, and LV remodelling impact on outcome was evaluated with a log‐rank test. A total population of 1995 STEMI patients were analysed (mean age 60 ± 12 years): 1527 (77%) men and 468 (23%) women. The mean age of male patients was 60±11 versus 63±13 years for women (P < 0.001). A total of 953 (48%) patients experienced LV remodelling in the first 12 months of follow‐up, and it was equally frequent amongst men (n = 729, 48%) and women (n = 224, 48%). After a median follow‐up of 94 (interquartile range 69–119) months, 225 patients died: 171 (11%) men and 54 (12%) women. No survival difference was seen between remodellers and non‐remodellers in the male (P = 0.113) and female (P = 0.920) groups.

Conclusion

LV post‐infarct remodelling incidence, as well as long‐term survival of LV remodellers and non‐remodellers, was similar in men and women who were treated with primary PCI and optimal pharmacotherapy post‐STEMI.
Synthesis of (TeI3)2[W6I14] via Iodination of WTe2
Authors: Schmidt Patrick , Siai Amira , Schneiderhan Philipp , Ströbele Markus , Meyer H.‐Jürgen
Published: February 2020

The new compound (TeI3)2[W6I14] appeared as an unforeseen product from a reaction of WTe2 with iodine at 250 °C, representing an exceptionally low temperature for the formation of an octahedral tungsten iodide cluster. The crystal structure, as refined by single‐crystal X‐ray diffraction, reveals (TeI3)+ ions and the well‐known [W6I14]2– cluster. A chemical analysis confirms the identity of the product. The electronic structure of (TeI3)2[W6I14] is analyzed in view of the relative position of tellurium states by density functional theory (DFT) calculations. This cluster compound exhibits an indirect band gap as confirmed by the band structure calculation based on the HSE06 hybrid functional theory.
Evaluation of Redox Activity of Human Myocardium‐derived Mesenchymal Stem Cells by Scanning Electrochemical Microscopy
Authors: Petroniene Jurate , Morkvenaite‐Vilkonciene Inga , Miksiunas Rokas , Bironaite Daiva , Ramanaviciene Almira , Mikoliunaite Lina , Kisieliute Aura , Rucinskas Kestutis , Janusauskas Vilius , Plikusiene Ieva , Labeit Siegfried , Ramanavicius Arunas
Published: February 2020

In this study the redox activity of human myocardium‐derived mesenchymal stem cells (hmMSC) were investigated by redox‐competition (RC‐SECM) and generation‐collection (GC‐SECM) modes of scanning electrochemical microscopy (SECM), using 2‐methylnaphthalene‐1,4‐dione (menadione, MD) as a redox mediator. The redox activity of human healthy and dilated hmMSCs was evaluated by measuring reduction of MD. Measurements were performed by approaching and retracting the UME from the surface of growing hmMSC cells. The current study shows that the RC‐SECM mode can be applied to investigate integrity of cell membranes, whereas the most promising results were observed by using the GC‐SECM mode and applying the Hill's equation for the calculation/fitting of dependencies of electrical current vs menadione concentration. The calculated apparent Michaelis constant (KM) for the production of menadiol (MDH2) in the pathological hmMSC cells was 14.4 folds higher compared to that of the healthy hmMSC revealing the lover redox activity of pathological cells. Moreover, the calculated Hill's coefficient n shows a negative cooperative binding between MD and healthy hmMSC and positive cooperative binding between MD and pathological hmMSC. It means that healthy hmMSC is of lower affinity to MD, which is also related to the better membrane integrity of healthy cells. Data of this study demonstrate that SECM can be applied to investigate intracellular redox and membrane changes ongoing in human dilated myocardium‐derived hmMSC in order to improve their functioning and further regenerative potential.
Changes in starch structures and in vitro digestion characteristics during maize (Zea mays L.) germination
Authors: Ma Xianhong , Liu Yang , Liu Jingsheng , Zhang Jingjing , Liu Renning
Published: February 2020

This study analyzed changes in the starch structures and in vitro digestion profiles of a specific maize cultivar, Jike 728 (JK728), in Jilin, China, after 0–5 days of germination. The total starch, amylose, and amylopectin contents decreased significantly during germination. The average molecular weight of the starch compounds also decreased significantly during germination. The proportion of amylopectin with a degree of polymerization (DP) of 13–24 significantly decreased, while the relative abundance of amylopectin with DP values of 6–12, 25–36, and 37–60 significantly increased. The X‐ray diffraction (XRD) patterns of all samples were characteristic of A‐type starch, and the starch relative crystallinity decreased over time. The proportions of slowly digestible starch and resistant starch decreased significantly, while the proportion of rapidly digestible starch increased significantly during germination. Germination is an easy, inexpensive, and low‐carbon processing method. This study indicates that germination is an effective way to control the physical properties and digestibility of starch in maize. The changes observed in the physical properties and digestibility of maize starch after germination provide scientists with a platform to understand starch modification mechanisms that might have potential applications on an industrial scale.
Return and volatility transmission between China's and international crude oil futures markets: A first look
Authors: Yang Jian , Zhou Yinggang
Published: February 2020

We examine return and volatility transmission between the newly established crude oil futures in China and international major crude oil futures markets using intraday data. For the first time, we document evidence for cointegration relationships among these oil futures markets. Both China's and Oman's oil futures markets react to deviations from their long‐run equilibrium with West Texas Intermediate and Brent oil futures. There is also new evidence for asymmetric volatilities and correlations across these oil futures markets. Furthermore, the Chinese oil futures have stronger linkages with the international major futures markets than Oman futures.
Newly discovered Neoproterozoic A‐type granite in the Altun orogenic belt: A record of the initial breakup of Rodinia
Authors: Zheng Kun , Wu Cailai , Wei Chunjing , Wu Di , Chen Hongjie , Gao Dong
Published: February 2020

The Altun orogenic belt, located on the northern margin of the Tibetan Plateau, records the assembly and breakup of the Rodinia supercontinent. In this paper, we report the petrography, zircon U–Pb ages and Hf isotope data, and bulk geochemistry of the Hongliugou alkali feldspar granites from the Altun orogenic belt to constrain their petrogenesis and tectonic implication. Zircon U–Pb dating yielded ages of 857–851 Ma, interpreted as the emplacement ages of the granites. The granites are metaluminous; have high SiO2, K2O, and rare‐earth element (REE) contents; low CaO and P2O5 contents; high FeOt/MgO ratios; and high 10,000 × Ga/Al values. They show marked depletion in heavy REEs, enrichment in light REEs, and pronounced negative Eu anomalies. These rocks are enriched in high‐field‐strength elements, depleted in Ba, Sr, P, and Ti, and lack Nb and Ta anomalies. These petrological and geochemical characteristics are consistent with those of A‐type granites. The samples plot in the A1‐type field in a discrimination diagram for A‐type granites. Zircon εHf(t) values vary from +1.76 to +7.40 with two‐stage Hf model ages of 1.27 to 1.63 Ga, implying that the granites were derived mainly from juvenile crust. On the basis of these and previous results, we propose that the Hongliugou alkali feldspar granites formed in an intraplate rift setting related to the initial breakup of Rodinia.
An Expedient Route to 9‐Arylmethylanthracene Derivatives via Tandem Ni‐Catalyzed Alkene Dicarbofunctionalization and Acid‐Promoted Cyclization‐Aromatization
Authors: Niroula Doleshwar , Sapkota Rishi R. , Dhungana Roshan K. , Shrestha Bijay , Giri Ramesh
Published: February 2020

We report a nickel‐catalyzed one pot synthesis of 9‐arylmethylanthracene motifs, which find applications in medicinal and material chemistry. In this synthesis, we apply three component alkene dicarbofunctionalization of 2‐vinylaldimines with aryl iodides and arylzinc reagent to generate a 1,1,2‐diarylethyl scaffold, which then undergoes an acid‐promoted cyclization followed by aromatization to furnish 9‐arylmethylanthracene cores. With the new method, a number of differently‐substituted 9‐arylmethylanthracene derivatives can be synthesized in good yields.
Comparison of the Iowa Reference Algorithm to the Heidelberg Spectralis optical coherence tomography segmentation algorithm
Authors: Sun Jasmine Q. , McGeehan Brendan , Firn Kim , Irwin David , Grossman Murray , Ying Gui‐Shuang , Kim Benjamin J.
Published: February 2020

For spectral‐domain optical coherence tomography (SD‐OCT) studies of neurodegeneration, it is important to understand how segmentation algorithms differ in retinal layer thickness measurements, segmentation error locations and the impact of manual correction. Using macular SD‐OCT images of frontotemporal degeneration patients and controls, we compare the individual and aggregate retinal layer thickness measurements provided by two commonly used algorithms, the Iowa Reference Algorithm and Heidelberg Spectralis, with manual correction of significant segmentation errors. We demonstrate small differences of most retinal layer thickness measurements between these algorithms. Outer sectors of the Early Treatment Diabetic Retinopathy Study grid require a greater percent of eyes to be corrected than inner sectors of the retinal nerve fiber layer (RNFL). Manual corrections affect thickness measurements mildly, resulting in at most a 5% change in RNFL thickness. Our findings can inform researchers how to best use different segmentation algorithms when comparing retinal layer thicknesses.
Akt activation by insulin treatment attenuates cachexia in Walker‐256 tumor‐bearing rats
Authors: de Fatima Silva Flaviane , de Morais Hely , Ortiz Silva Milene , da Silva Francemilson Goulart , Vianna Croffi Rafael , Serrano‐Nascimento Caroline , Rodrigues Graciano Maria Fernanda , Rafael Carpinelli Angelo , Barbosa Bazotte Roberto , de Souza Helenir Medri
Published: February 2020

Cancer‐bearing often exhibits hypoinsulinemia, insulin (INS) resistance and glutamine depletion associated with cachexia. However, INS and glutamine effects on cachexia metabolic abnormalities, particularly on tumor‐affected proteins related to INS resistance, are poorly known. The main purpose of this study was to investigate the effects of INS and glutamine dipeptide (GDP) treatments on phospho‐protein kinase B (p‐Akt), and phospho‐hormone sensitive lipase (p‐HSL) in Walker‐256 tumor‐bearing rats. INS (NPH, 40 UI/kg, subcutaneous), GDP (1.5 g/kg, oral), INS+GDP or vehicle (control rats) were administered for 13 days, once a day, starting at the day of inoculation of tumor cells. The experiments were performed 4 hours after the last treatment to evaluate acute effects of INS and GDP, besides the chronic effects. INS and/or INS+GDP treatments, which markedly increased the insulinemia, increased the p‐Akt: total Akt ratio and prevented the increased p‐HSLSer552: total HSL ratio in the retroperitoneal fat of tumor‐bearing rats, without changing the INS resistance and increased expression of factor tumor necrosis‐α (TNF‐α) in this tissue. INS and INS+GDP also increased the p‐Akt: total Akt ratio, whereas GDP and INS+GDP increased the GLUT4 glucose transporter gene expression, in the gastrocnemius muscle of the tumor‐bearing rats. Accordingly, treatments with INS and INS+GDP markedly reduced glycemia, increased retroperitoneal fat and attenuated the body mass loss of tumor‐bearing rats. In conclusion, hyperinsulinemia induced by high‐dose INS treatments increased Akt phosphorylation and prevented increased p‐HSLSer552: total HSL ratio, overlapping INS resistance. These effects are consistent with increased fat mass gain and weight loss (cachexia) attenuation of tumor‐bearing rats, evidencing that Akt activation is a potential strategy to prevent loss of fat mass in cancer cachexia.
Chemical promenades: Exploring potential‐energy surfaces with immersive virtual reality
Authors: Martino Marta , Salvadori Andrea , Lazzari Federico , Paoloni Lorenzo , Nandi Surajit , Mancini Giordano , Barone Vincenzo , Rampino Sergio
Published: February 2020

The virtual‐reality framework AVATAR (Advanced Virtual Approach to Topological Analysis of Reactivity) for the immersive exploration of potential‐energy landscapes is presented. AVATAR is based on modern consumer‐grade virtual‐reality technology and builds on two key concepts: (a) the reduction of the dimensionality of the potential‐energy surface to two process‐tailored, physically meaningful generalized coordinates, and (b) the analogy between the evolution of a chemical process and a pathway through valleys (potential wells) and mountain passes (saddle points) of the associated potential energy landscape. Examples including the discovery of competitive reaction paths in simple A + BC collisional systems and the interconversion between conformers in ring‐puckering motions of flexible rings highlight the innovation potential that augmented and virtual reality convey for teaching, training, and supporting research in chemistry.
Predicting whether aromatic molecules would prefer to enter a carbon nanotube: A density functional theory study
Authors: Ahn Dae‐Hwan , Park Chiyoung , Song Jong‐Won
Published: February 2020

The interaction of a carbon nanotube (CNT) with various aromatic molecules, such as aniline, benzophenone, and diphenylamine, was studied using density functional theory able to compute intermolecular weak interactions (B3LYP‐D3). CNTs of varying lengths were used, such as 4‐CNT, 6‐CNT, and 8‐CNT (the numbers denoting relative lengths), with the lengths being chosen appropriately to save computation times. All aromatic molecules were found to exhibit strong intermolecular binding energies with the inner surface of the CNT, rather than the outer surface. Hydrogen bonding between two aromatic molecules that include N and O atoms is shown to further stabilize the intermolecular adsorption process. Therefore, when benzophenone and diphenylamine were simultaneously allowed to interact with a CNT, the aromatic molecules were expected to preferably enter the CNT. Furthermore, additional calculations of the intermolecular adsorption energy for aniline adsorbed on a graphene surface showed that the concavity of graphene‐like carbon sheet is in proportion to the intermolecular binding energy between the graphene‐like carbon sheet and the aromatic molecule.
Pichia pastoris: A highly successful expression system for optimal synthesis of heterologous proteins
Authors: Karbalaei Mohsen , Rezaee Seyed A. , Farsiani Hadi
Published: February 2020

One of the most important branches of genetic engineering is the expression of recombinant proteins using biological expression systems. Nowadays, different expression systems are used for the production of recombinant proteins including bacteria, yeasts, molds, mammals, plants, and insects. Yeast expression systems such asSaccharomyces cerevisiae(S. cerevisiae) andPichia pastoris(P. pastoris) are more popular.P. pastorisexpression system is one of the most popular and standard tools for the production of recombinant protein in molecular biology. Overall, the benefits of protein production byP. pastorissystem include appropriate folding (in the endoplasmic reticulum) and secretion (by Kex2 as signal peptidase) of recombinant proteins to the external environment of the cell. Moreover, in theP. pastorisexpression system due to its limited production of endogenous secretory proteins, the purification of recombinant protein is easy. It is also considered a unique host for the expression of subunit vaccines which could significantly affect the growing market of medical biotechnology. AlthoughP. pastorisexpression systems are impressive and easy to use with well‐defined process protocols, some degree of process optimization is required to achieve maximum production of the target proteins. Methanol and sorbitol concentration, Mut forms, temperature and incubation time have to be adjusted to obtain optimal conditions, which might vary among different strains and externally expressed protein. Eventually, optimal conditions for the production of a recombinant protein inP. pastorisexpression system differ according to the target protein.
The condom purchase task: A hypothetical demand method for evaluating sexual health decision‐making
Authors: Strickland Justin C. , Marks Katherine R. , Bolin B. Levi
Published: February 2020

Behavioral economic theory has proved useful for understanding the influence of delay and probability on sexual health decision‐making. Demand is another principle at the intersection of microeconomics and psychology that has helped advance research relevant to health behaviors. The purpose of the present study was to develop and test a demand measure related to sexual health decision‐making and the influence of sexually transmitted infection (STI) risk. Participants (N = 438) recruited using Amazon Mechanical Turk completed a commodity purchase task assessing hypothetical condom demand. Condom demand was evaluated at varied prices for use with hypothetical sexual partners that varied in STI risk. Demand was characterized by prototypic decreases in consumption with increases in cost. Higher partner STI risk was associated with greater intentions for condom‐protected sex at no cost and smaller decreases in condom demand with increases in cost. Price sensitivity was also related to individual difference factors relevant to sexual health (e.g., alcohol use severity, lower STI knowledge). This study supports the utility of a condom purchase task for indexing condom valuation and capturing individual difference and contextual risk factors relevant to STI transmission. Future studies may leverage this methodology as a means to study sexual health decision‐making.
How do immune and mesenchymal cells influence the intestinal epithelial cell compartment in inflammatory bowel disease? Let’s crosstalk about it!
Authors: Rees William D , Sly Laura M , Steiner Theodore S
Published: February 2020

Intestinal epithelial cells provide a front line of defense by establishing a barrier against food Ags, pathogens, and commensal microorganisms. This defense includes the establishment of a tolerogenic environment in the gastrointestinal (GI) tract. The intestinal epithelium replenishes itself by cell turnover every 4–5 days, and this process is facilitated by various pathways of communication between the intestinal epithelial cells (IECs), the underlying stromal cell network, and professional immune cells, which together help establish a proper intestinal stem cell (ISC) niche in the crypt. However, during a state of inflammation, such as in inflammatory bowel diseases (IBD), these communication pathways can be altered, and this can lead to the development of inflammatory IECs within the crypt that further drive inflammation. Here, we review the current literature looking at crosstalk between immune cells, stromal cells, and IECs: how does the immune system potentially alter the ISC niche, and how do IECs influence intestinal immunity? We discuss the latest research using single cell RNA sequencing and intestinal organoid cultures to help answer these questions. A better understanding of this complex crosstalk can help lead to a better understanding of intestinal biology in general, and more efficient therapeutic approaches to treat IBD.
Overlapping and discrete aspects of the pathology and pathogenesis of the emerging human pathogenic coronaviruses SARS‐CoV, MERS‐CoV, and 2019‐nCoV
Authors: Liu Jia , Zheng Xin , Tong Qiaoxia , Li Wei , Wang Baoju , Sutter Kathrin , Trilling Mirko , Lu Mengji , Dittmer Ulf , Yang Dongliang
Published: February 2020

First reported from Wuhan, The People's Republic of China, on 31 December 2019, the ongoing outbreak of a novel coronavirus (2019‐nCoV) causes great global concerns. Based on the advice of the International Health Regulations Emergency Committee and the fact that to date 24 other countries also reported cases, the WHO Director‐General declared that the outbreak of 2019‐nCoV constitutes a Public Health Emergency of International Concern on 30 January 2020. Together with the other two highly pathogenic coronaviruses, the severe acute respiratory syndrome coronavirus (SARS‐CoV) and Middle East respiratory syndrome coronavirus (MERS‐CoV), 2019‐nCov and other yet to be identified coronaviruses pose a global threat to public health. In this mini‐review, we provide a brief introduction to the pathology and pathogenesis of SARS‐CoV and MERS‐CoV and extrapolate this knowledge to the newly identified 2019‐nCoV.
Tree shrew bone marrow–derived mesenchymal stem cells express CD81, OCLN, and miR‐122, facilitating the entire hepatitis C virus life cycle
Authors: Lu Caixia , Feng Yue , Sun Xiaomei , Li Na , Kuang Dexuan , Wang Wenguang , Tong Pinfen , Han Yuanyuan , Xia Xueshan , Dai Jiejie
Published: February 2020

Hepatitis C virus (HCV) infection is a major cause of chronic liver disease and associated cirrhosis, and hepatocellular carcinoma worldwide. At present, there is no prophylactic vaccine against HCV due to the lack of in vivo and in vitro model systems. Although most recombinants of all major HCV genotypes replicate in Huh‐7 cell line and derivatives, these cells are human hepatoma‐derived cell line. Therefore, the development of un‐tumor‐derived cell systems facilitating the entire HCV life cycle is urgently needed. In this study, we aimed to establish a novel tree shrew‐derived bone marrow–derived mesenchymal stem cell (BM‐MSC) system to reconstruct the HCV life cycle. We transduction cluster of differentiation 81 (CD81), occludin (OCLN), and microRNA‐122 (miR‐122) into BM‐MSCs, then used a well‐established HCV, produced from the J6/JFH1‐Huh7.5.1 culture system, to infect the cells. We observed that BM‐MSCs transduction with CD81/OCLN or CD81/OCLN/miR‐122 support HCV RNA replication and infectious virus production. We also found that the addition of exogenous vascular endothelial growth factor (VEGF) can enhance HCV infectivity in BM‐MSCs, with HCV virus load up to 105 copies/mL. In conclusion, we identified the minimum essential factors required for HCV replication in tree shrew‐derived nonhuman nonhepatic BM‐MSCs. Further, we identified that exogenous addition of VEGF, and exogenous expression of CD81, OCLN, and miR‐122, facilitates efficient viral replication and production of infectious particles. Our results describe a novel cell system capable of supporting the entire HCV life cycle, which may provide an essential tool for anti‐HCV drug discovery, vaccine development, and study of pathogenesis.
Comparison and modelling of extraction methods to assess agronomic effectiveness of fertilizer zinc
Authors: Degryse Fien , da Silva Rodrigo C. , Baird Roslyn , Cakmak Ismail , Yazici Mustafa Atilla , McLaughlin Mike J.
Published: February 2020

Total Zn in fertilizer is a poor predictor of Zn availability in granular fertilizers. In this study, we compared different extraction methods using Zn fertilizers for which the agronomic effectiveness had previously been determined. Sixteen fertilizers were extracted by eight different procedures using five extractant solutions: water, 1 M ammonium acetate (pH 7.0), 74 mM EDTA (pH 7.0), 5 mM DTPA + 0.1 M MES (pH 6.2), and 0.12 M bis‐tris (pH 6). Modelling of Zn solubility and speciation was carried out with a chemical speciation program (Visual Minteq). The predicted solubilities were in good agreement with the observations, indicating chemical equilibrium. The three methods using pure water were highly correlated with each other and showed the strongest correlation with agronomic effectiveness (r = 0.81–0.90). The methods using extractants with strong pH buffering or high chelating capacity showed no or weak correlation with the agronomic effectiveness. Thus, water‐only based methods give the best indication of the availability of Zn in granular fertilizers, and are best suited for regulation or labeling of available Zn in fertilizer.
Overexpression of an endogenous raw starch digesting mesophilic α‐amylase gene in Bacillus amyloliquefaciens Z3 by in vitro methylation protocol
Authors: Tang Shizhe , Xu Tingliang , Peng Jing , Zhou Kaiyan , Zhu Yuling , Zhou Wenbo , Cheng Haina , Zhou Hongbo
Published: February 2020

BACKGROUND

Mesophilic α‐amylases function effectively at low temperatures with high rates of catalysis and require less energy for starch hydrolysis. Bacillus amyloliquefaciens is an essential producer of mesophilic α‐amylases. However, because of the existence of the restriction‐modification system, introducing exogenous DNAs into wild‐type B. amyloliquefaciens is especially tricky.

RESULTS

α‐Amylase producer B. amyloliquefaciens strain Z3 was screened and used as host for endogenous α‐amylase gene expression. In vitro methylation was performed in recombinant plasmid pWB980‐amyZ3. With the in vitro methylation, the transformation efficiency was increased to 0.96 × 102 colony‐forming units μg–1 plasmid DNA. A positive transformant BAZ3‐16 with the highest α‐amylase secreting capacity was chosen for further experiments. The α‐amylase activity of strain BAZ3‐16 reached 288.70 ± 16.15 U mL−1 in the flask and 386.03 ± 16.25 U mL−1 in the 5‐L stirred‐tank fermenter, respectively. The Bacillus amyloliquefaciens Z3 expression system shows excellent genetic stability and high‐level extracellular production of the target protein. Moreover, the synergistic interaction of AmyZ3 with amyloglucosidase was determined during the hydrolysis of raw starch. The hydrolysis degree reached 92.34 ± 3.41% for 100 g L−1 raw corn starch and 81.30 ± 2.92% for 100 g L−1 raw cassava starch after 24 h, respectively.

CONCLUSION

Methylation of the plasmid DNA removes a substantial barrier for transformation of B. amyloliquefaciens strain Z3. Furthermore, the exceptional ability to hydrolyze starch makes α‐amylase AmyZ3 and strain BAZ3‐16 valuable in the starch industry. © 2020 Society of Chemical Industry
Determination of the mass transfer coefficients in direct immersion solid‐phase microextraction
Authors: Xu Jianqiao , Hu Qingkun , Liu Xiwen , Wei Songbo , Zheng Juan , Lin Wei , Ye Yuxin , Zhu Fang , Ouyang Gangfeng
Published: February 2020

Diffusion of the analytes across the diffusion boundary layers and subsequently through the fiber coatings determines the extraction kinetics of solid‐phase microextraction in aqueous matrices. Besides, the matrix effects can distort the behaviors of the analytes transferring across the diffusion boundary layers. However, these processes were always studied via certain simplification, which often left the mass transfer through the fiber coatings unconsidered and the matrix effects partially investigated. Herein, a comprehensive study on the mass transfer processes in direct immersion solid‐phase microextraction was presented. Under different agitation speeds, it was determined that the mass transfer coefficients across the diffusion boundary layers were three to six orders larger than those through the fiber coatings. However, the mass transfer across the diffusion boundary layers was generally the major rate‐limiting step. In addition, the shuttle effect and the barrier effect, which were responsible for accelerating and retarding the extraction kinetics, respectively, were found to be the dominant matrix effect alternately under different agitation speeds. This study comprehensively illustrated the major rate‐limiting step and the dominant matrix effects through recording the mass transfer coefficients.