bluuebunny/crossref_metadata_2025 huggingface dataset:
Active biopackaging produced from by‐products and waste from food and marine industries
Authors: Debeaufort Frédéric
Published: February 2021

The agro‐food industry cannot today do without packaging to preserve and above all market its products. Plastic materials coming mainly from petrochemicals have taken a predominant place in the food packaging sector. They have become indispensable in many sectors, from fresh to frozen products, from meat and dairy products to fruit and vegetables or almost‐ready meals. Plastics are cheap, their lightness reduces transport costs, and their convenience is fundamental for out‐of‐home catering. However, plastics pose serious end‐of‐life issues. The development of materials that are more respectful of the consumer and the environment has become a major issue. In addition, the agro‐food industries generate significant quantities of waste or by‐products that are poorly or not at all recovered. However, these contain constituents that can be extracted or transformed to be compatible with packaging uses. Many molecules from waste materials are of particular interest for the development of active packaging such as biopolymers, bioactive agents, inorganic compounds, fibers, or nano‐ and micro‐objects. Providing bioactive functions such as antioxidants or antimicrobials can extend the shelf life of food while reducing the sophistication of plastic materials and thus improving their recycling. This article summarizes the main materials and constituents that can be recovered from waste and illustrates through several examples what could be the applications of such new, sustainable, and active packaging.
The surface area effect: How the intermediate dose spill depends on the PTV surface area in SRS
Authors: Desai Dharmin D. , Johnson E. L. , Cordrey Ivan L.
Published: February 2021

Purpose

Stereotactic radiosurgery (SRS) is rapidly becoming the standard of care for many intracranial targets. The characteristics of the planning target volume (PTV) can affect the intermediate dose spill and thus normal brain volume dose which is correlated with brain toxicity. R50% (volume receiving 50% of prescription dose divided by PTV volume) is a useful metric to quantify the intermediate dose spill. We propose a novel understanding of how the PTV surface area (SAPTV) affects the intermediate dose spill of SRS treatments.

Methods

Using a phantom model provided by a computed tomography (CT) of the IROC Head Phantom® and Eclipse® Treatment Planning System, we investigate the relationship of R50% and SAPTV in single‐target SRS treatments. The planning studies are conducted for SRS treatments on a Varian TrueBeam® linear accelerator with high‐definition MLC and a 6 MVFFF beam mode. These data are analyzed to ascertain trends in R50% related to SAPTV. Since SAPTV is not available as a structure property in the Eclipse RTPS, we introduce an Eclipse script to extract PTV surface area of arbitrary‐shaped PTVs. We compare a physically reasonable theoretical prediction of R50%, R50%Analytic, to the R50% achieved in treatment planning studies.

Results

The SRS phantom study indicates good correlation between the plan R50% and SAPTV. A near‐linear relationship of plan R50% vs SAPTV is observed as predicted by the R50%Analytic model. Agreement between plan R50% values and R50%Analytic predictions is good for all but the very smallest PTV volumes.

Conclusions

We demonstrate dependence of the intermediate dose spill measured by R50% on the SAPTV. We call that dependence the surface area effect. This dependence is explicit in the R50%Analytic prediction model. The predicted value of R50%Analytic for a given PTV could be used for guidance during SRS treatment plan optimization, and plan evaluation for that PTV.
A Bibliometric Analysis of Advanced Healthcare Materials: Research Trends of Biomaterials in Healthcare Application
Authors: Zhu Shuang , Liu Yaping , Gu Zhanjun , Zhao Yuliang
Published: February 2021

In the field of biomaterials for healthcare applications, Advanced Healthcare Materials (AHM) has become one of the leading journals. Since 2011, AHM keeps bringing the latest research results in biomaterial science aimed at promoting human health. Nowadays, bibliometrics, of which methodological approaches can quantitively and qualitatively analyze the research performance of journals or subject fields, has attracted considerable attention among the scientific community. A general bibliometric overview of the research performance of AHM is presented. With the aid of Web of Science Core Collection database and VOSviewer software, the annual publication, the most prolific and influential authors/countries from AHM is identified. In addition, the most cited documents and keyword cooccurrence network analysis allow to recognize the major research topics in AHM. At last, the summary of current research trends based on AHM bibliometric analysis, several considerations for the clinical translation of biomaterials, and prospects to advance the field are also proposed. This editorial presents major research trends in the field of engineered materials for healthcare applications.
Nanocomposite‐Seeded Epitaxial Growth of Single‐Domain Lithium Niobate Thin Films for Surface Acoustic Wave Devices
Authors: Paldi Robynne L. , Qi Zhimin , Misra Shikhar , Lu Juanjuan , Sun Xing , Phuah Xin Li , Kalaswad Matias , Bischoff Jay , Branch Darren W. , Siddiqui Aleem , Wang Haiyan
Published: February 2021

Epitaxial lithium niobate (LNO) thin films are an attractive material for devices across a broad range of fields, including optics, acoustics, and electronics. These applications demand high‐quality thin films without in‐plane growth domains to reduce the optical/acoustical losses and optimize efficiency. Twin‐free single‐domain‐like growth has been achieved previously, but it requires specific growth conditions that might be hard to replicate. In this work, a versatile nanocomposite‐seeded approach is demonstrated as an effective approach to grow single‐domain epitaxial lithium niobate thin films. Films are grown through a pulsed laser deposition method and growth conditions are optimized to achieve high‐quality epitaxial film. A comprehensive microstructure characterization is performed and optical properties are measured. A piezoelectric acoustic resonator device is developed to demonstrate the future potential of the nanocomposite‐seeded approach for high‐quality LNO growth for radio frequency (RF) applications.
Access to Trisubstituted Fluoroalkenes by Ruthenium‐Catalyzed Cross‐Metathesis
Authors: Nouaille Augustin , Pannecoucke Xavier , Poisson Thomas , Couve‐Bonnaire Samuel
Published: February 2021

Although the olefin metathesis reaction is a well‐known and powerful strategy to get alkenes, this reaction remained highly challenging with fluororalkenes, especially the Cross‐Metathesis (CM) process. Our thought was to find an easy accessible, convenient, reactive and post‐functionalizable source of fluoroalkene, that we found as the methyl 2‐fluoroacrylate. We reported herein the efficient ruthenium‐catalyzed CM reaction of various terminal and internal alkenes with methyl 2‐fluoroacrylate giving access, for the first time, to trisubstituted fluoroalkenes stereoselectively. Unprecedent TON for CM involving fluoroalkene, up to 175, have been obtained and the reaction proved to be tolerant and effective with a large range of olefin partners giving fair to high yields in metathesis products.

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Whole‐Genome Sequence of Synthesized Allopolyploids in Cucumis Reveals Insights into the Genome Evolution of Allopolyploidization
Authors: Yu Xiaqing , Wang Panqiao , Li Ji , Zhao Qinzheng , Ji Changmian , Zhu Zaobing , Zhai Yufei , Qin Xiaodong , Zhou Junguo , Yu Haiyan , Cheng Xinchao , Isshiki Shiro , Jahn Molly , Doyle Jeff J. , Ottosen Carl‐Otto , Bai Yuling , Cai Qinsheng , Cheng Chunyan , Lou Qunfeng , Huang Sanwen , Chen Jinfeng
Published: February 2021

The importance of allopolyploidy in plant evolution has been widely recognized. The genetic changes triggered by allopolyploidy, however, are not yet fully understood due to inconsistent phenomena reported across diverse species. The construction of synthetic polyploids offers a controlled approach to systematically reveal genomic changes that occur during the process of polyploidy. This study reports the first fully sequenced synthetic allopolyploid constructed from a cross between Cucumis sativus and C. hystrix, with high‐quality assembly. The two subgenomes are confidently partitioned and the C. sativus‐originated subgenome predominates over the C. hystrix‐originated subgenome, retaining more sequences and showing higher homeologous gene expression. Most of the genomic changes emerge immediately after interspecific hybridization. Analysis of a series of genome sequences from several generations (S0, S4–S13) of C. ×hytivus confirms that genomic changes occurred in the very first generations, subsequently slowing down as the process of diploidization is initiated. The duplicated genome of the allopolyploid with double genes from both parents broadens the genetic base of C. ×hytivus, resulting in enhanced phenotypic plasticity. This study provides novel insights into plant polyploid genome evolution and demonstrates a promising strategy for the development of a wide array of novel plant species and varieties through artificial polyploidization.
Antimesenteric cutback end‐to‐end isoperistaltic anastomosis (Sasaki‐Watanabe anastomosis) for Crohn's disease: Novel surgical technique and early results of surgical anastomotic recurrence
Authors: Watanabe Kazuhiro , Sasaki Iwao , Kohyama Atsushi , Suzuki Hideyuki , Kobayashi Minoru , Kajiwara Taiki , Karasawa Hideaki , Ohnuma Shinobu , Kamei Takashi , Unno Michiaki
Published: February 2021

Background

Antimesenteric cutback end‐to‐end isoperistaltic anastomosis (Sasaki‐Watanabe anastomosis; Sasaki‐W anastomosis), which was developed in our department, is a novel hand‐sewn anastomotic technique for Crohn's disease intended to prevent anastomotic stenosis and preserve the peripheral circulation.

Aim

The aim of the present study is to present the surgical technique of Sasaki‐W anastomosis and to assess the safety and the early results of the surgical anastomotic recurrence of Sasaki‐W anastomosis.

Patients and Methods

The present study was a single‐center retrospective cohort study. As an early‐period group, 13 patients with Crohn's disease, who were mainly selected from cases considered to be at high risk of recurrence, underwent 15 Sasaki‐W anastomoses from August 2009 to January 2012. As a late‐period group, 36 patients with Crohn's disease, who were selected regardless of risk factors, underwent 37 Sasaki‐W anastomoses from September 2016 to March 2020. The medical data including patient characteristics, surgical records, postoperative details, and surgical recurrences were assessed.

Results

There were no intraoperative complications. With a median follow‐up of 107 mo, surgical recurrence occurred in one patient at 106 mo after surgery in the early‐period group. The cumulative surgical recurrence‐free rate in the early‐period group was 100% at 5 y and 86% at 10 y after surgery. No patients required reoperation in the late‐period group.

Conclusion

Sasaki‐W anastomosis is safe and feasible. Although long‐term study is needed, this anastomotic technique can be a reasonable operative option for Crohn's disease.
Modeling the breakage stage in spheronization of cylindrical paste extrudates
Authors: Wang Liguang , Lim Chia Wei , Ng Grace Zhen Li , Rough Sarah L. , Ian Wilson D.
Published: February 2021

Spheronization of cylindrical extrudates on a rotating friction plate involves breakage and rounding. Little attention has been given to the breakage stage and quantitative modeling of this process is scarce. Two simple models are compared with experimental data obtained for the early stages of spheronization of microcrystalline cellulose/water extrudates. Tests were conducted for different times (t), rotational speeds (ω), initial loadings, and on pyramidal friction plates with different dimensions. The first model, describing the number of pellets, validated ω3t as a characteristic time scale for the breakage stage. The kinetic parameters obtained by fitting showed a systematic dependence on plate dimensions expressed as a scaled gap width. The second model, a simple population balance, described the evolution of the number and length of pellets. The pseudo rate constants provided insights into the kinetics: extrudates tended to break near the middle, while breakage of smaller pellets was slowed down by more pellet–pellet collisions.
Relationship between rs9939609 FTO polymorphism with waist circumference and body fat is moderated by ponderal index at birth in youth
Authors: Quevedo Alves Fernanda , Reuter Cézane Priscila , Neumann Igor , Todendi Pâmela Ferreira , Brand Caroline , Latosinski Matos William , Brazo‐Sayavera Javier , Renner Jane Dagmar Pollo , de Moura Valim Andréia Rosane
Published: February 2021

Objective

The goal of this study was to analyze whether the relationship between the rs9939609 polymorphism of the fat mass and obesity‐associated gene (FTO) with nutritional status is moderated by the ponderal index (PI) at birth in children and adolescents.

Methods

A cross‐sectional study evaluated 382 schoolchildren aged 6–17 years. Anthropometric variables such as waist circumference (WC), body mass index (BMI) and body fat percentage (BF%) were used to assess nutritional status. Weight and height at birth were used for the PI calculation, which was divided into tertiles (lower, middle and upper). To compare the continuous variables between genotypes of the rs9939609 polymorphism, a recessive model (TT/AT vs. AA) and covariance analysis (ANCOVA) were used.

Results

The AA genotype of the rs9939609 polymorphism was associated with higher WC in schoolchildren born with lower PI (β = 4.40; p = .048). However, for BF%, the genotype association was found in the upper PI tertile (β = 7.35; p = .040).

Conclusion

The relationship between WC and BF% with rs9939609 polymorphism (FTO) seems to be moderated by PI at birth. This is an important insight, since the data for intrauterine growth, genetic factors and the presence of obesity in children and adolescents are still contradictory.
Activation of 2‐Cyclohexenone by BF3 Coordination: Mechanistic Insights from Theory and Experiment
Authors: Peschel Martin T. , Kabaciński Piotr , Schwinger Daniel P. , Thyrhaug Erling , Cerullo Giulio , Bach Thorsten , Hauer Jürgen , de Vivie‐Riedle Regina
Published: February 2021

Lewis acids have recently been recognized as catalysts enabling enantioselective photochemical transformations. Mechanistic studies on these systems are however rare, either due to their absorption at wavelengths shorter than 260 nm, or due to the limitations of theoretical dynamic studies for larger complexes. In this work, we overcome these challenges and employ sub‐30‐fs transient absorption in the UV, in combination with a highly accurate theoretical treatment on the XMS‐CASPT2 level. We investigate 2‐cyclohexenone and its complex to boron trifluoride and analyze the observed dynamics based on trajectory calculations including non‐adiabatic coupling and intersystem crossing. This approach explains all ultrafast decay pathways observed in the complex. We show that the Lewis acid remains attached to the substrate in the triplet state, which in turn explains why chiral boron‐based Lewis acids induce a high enantioselectivity in photocycloaddition reactions.
Chiral Dibenzopentalene‐Based Conjugated Nanohoops through Stereoselective Synthesis
Authors: Hermann Mathias , Wassy Daniel , Kohn Julia , Seitz Philipp , Betschart Martin U. , Grimme Stefan , Esser Birgit
Published: February 2021

Conjugated nanohoops allow to investigate the effect of radial conjugation and bending on the involved π‐systems. They can possess unexpected optoelectronic properties and their radially oriented π‐system makes them attractive for host–guest chemistry. Bending the π‐subsystems can lead to chiral hoops. Herein, we report the stereoselective synthesis of two enantiomers of chiral conjugated nanohoops by incorporating dibenzo[a,e]pentalenes (DBPs), which are generated in the last synthetic step from enantiomerically pure diketone precursors. Owing to its bent shape, this diketone unit was used as the only bent precursor and novel “corner unit” in the synthesis of the hoops. The [6]DBP[4]Ph‐hoops contain six antiaromatic DBP units and four bridging phenylene groups. The small HOMO–LUMO gap and ambipolar electrochemical character of the DBP units is reflected in the optoelectronic properties of the hoop. Electronic circular dichroism spectra and MD simulations showed that the chiral hoop did not racemize even when heated to 110 °C. Due to its large diameter, it was able to accommodate two C60 molecules, as binding studies indicate.
The Competitive Aggregation Pathway of an Asymmetric Chiral Oligo(p‐phenyleneethynylene) Towards the Formation of Individual P and M Supramolecular Helical Polymers
Authors: Fernández Zulema , Fernández Berta , Quiñoá Emilio , Freire Félix
Published: February 2021

A complex aggregation pathway towards two diastereomeric P and M supramolecular helices arises from the aggregation of a short, chiral, and rigid oligo(phenyleneethynylene) [OPE, (S)‐1]. Thus, while AggI aggregate is obtained when a DCM solution of (S)‐1 is diluted with MCH at room temperature, AggII aggregate is generated only after a slow heating (353 K)/cooling (273 K) process. Interestingly, during AggI formation (mechanism 1), short P chain oligomers are produced, which have a great tendency to aggregate in plane, yielding brick‐like nanostructures that halt the aggregation process. On the other hand, after a heating/cooling cycle, long M type columnar helical aggregates (AggII) are obtained, formed by individual supramolecular polymer chains (mechanism 2) easily visualized by AFM. The two different P/M orientations obtained for AggI and AggII reveal the dynamic character of the system and its ability to create diastereomeric helical structures under the right conditions. Different experimental protocols were explored to prepare long M type columnar helical aggregates, which are not obtained by using the previous MCH/DCM 99/1 (v/v) solvent mixture. The generation of the desired M oriented supramolecular polymer is achieved when toluene is added to the solvent mixture in a 97/2/1 MCH/Tol/DCM (v/v/v) ratio.
Bimetallic Cooperative Catalysis for Decarbonylative Heteroarylation of Carboxylic Acids via C‐O/C‐H Coupling
Authors: Liu Chengwei , Ji Chong‐Lei , Zhou Tongliang , Hong Xin , Szostak Michal
Published: February 2021

Cooperative bimetallic catalysis is a fundamental approach in modern synthetic chemistry. We report bimetallic cooperative catalysis for the direct decarbonylative heteroarylation of ubiquitous carboxylic acids via acyl C‐O/C‐H coupling. This novel catalytic system exploits the cooperative action of a copper catalyst and a palladium catalyst in decarbonylation, which enables highly chemoselective synthesis of important heterobiaryl motifs through the coupling of carboxylic acids with heteroarenes in the absence of prefunctionalization or directing groups. This cooperative decarbonylative method uses common carboxylic acids and shows a remarkably broad substrate scope (>70 examples), including late‐stage modification of pharmaceuticals and streamlined synthesis of bioactive agents. Extensive mechanistic and computational studies were conducted to gain insight into the mechanism of the reaction. The key step involves intersection of the two catalytic cycles via transmetallation of the copper–aryl species with the palladium(II) intermediate generated by oxidative addition/decarbonylation.
Phthalocyanine as a Bioinspired Model for Chlorophyll f‐Containing Photosystem II Drives Photosynthesis into the Far‐Red Region
Authors: Follana‐Berná Jorge , Farran Rajaa , Leibl Winfried , Quaranta Annamaria , Sastre‐Santos Ángela , Aukauloo Ally
Published: February 2021

The textbook explanation that P680 pigments are the red limit to drive oxygenic photosynthesis must be reconsidered by the recent discovery that chlorophyll f (Chlf)‐containing Photosystem II (PSII) absorbing at 727 nm can drive water oxidation. Two different families of unsymmetrically substituted Zn phthalocyanines (Pc) absorbing in the 700–800 nm spectral window and containing a fused imidazole‐phenyl substituent or a fused imidazole‐hydroxyphenyl group have been synthetized and characterized as a bioinspired model of the Chlf/TyrosineZ/Histidine190 cofactors of PSII. Transient absorption studies in the presence of an electron acceptor and irradiating in the far‐red region evidenced an intramolecular electron transfer process. Visible and FT‐IR signatures indicate the formation of a hydrogen‐bonded phenoxyl radical in ZnPc II‐OH. This study sets the foundation for the utilization of a broader spectral window for multi‐electronic catalytic processes with one of the most robust and efficient dyes.
Antithrombotic and antiplatelet activity of an organometallic rhodium(I) complex incorporating a substituted thieno‐[2,3‐d]‐pyrimidine ligand: Synthesis, structural characterization, and molecular docking calculations
Authors: Kalampalidis Alexandros , Peppas Anastasios , Schnakenburg Gregor , Papakyriakou Athanasios , Tsoupras Alexandros , Zabetakis Ioannis , Philippopoulos Athanassios I.
Published: February 2021

The antiplatelet and antithrombotic activity of a novel organometallic rhodium(I) complex of the formula [Rh(cod)Cl(tpc)] (1) (cod = cis‐1,5‐cyclooctadiene; tpc = methyl 2‐amino‐4‐(diethylamino)‐thieno‐[2,3‐d]‐pyrimidine‐6‐carboxylate) was investigated. Complex 1 was easily synthesized by a one‐pot, high‐yield reaction and was fully characterized by standard spectroscopic techniques including FT‐IR, UV–Vis, and NMR spectroscopy and by elemental analysis. The molecular structures of tpc and 1 were determined by single‐crystal X‐ray crystallography. Complex 1 displayed a slightly distorted square planar geometry and is the first crystallographically characterized example of a coordination compound bearing the ligand precursor tpc. Biological studies demonstrate that 1 displays strong antiplatelet and antithrombotic properties in vitro, by inhibiting both the aggregation of human and washed rabbit platelets induced by the potent inflammatory and thrombotic mediator, platelet‐activating factor (PAF) in the micromolar range. This is an approach of continuous interest in the field. Molecular docking calculations suggest that 1 can fit at the ligand‐binding site of the PAF receptor (PAFR) and thus block PAF thrombotic activities, through an antagonistic effect on the PAF/PAFR‐related pathway, which is in accord with the experimental findings. Complex 1 constitutes an interesting example of a metal‐based PAF inhibitor with promising antiplatelet, antithrombotic, and anti‐inflammatory activity, because PAF is the most potent inflammatory lipid mediator. This is also supported by the fact that 1 is an inhibitor of other inflammatory and thrombotic mediators like thrombin, along with well‐established platelet agonists like ADP and collagen.
Thermo‐oxidative aging of high‐density polyethylene reinforced with multiwalled carbon nanotubes
Authors: Åkesson Dan , Ramamoorthy Sunil Kumar Lindström , Bohlén Martin , Skrifvars Ville‐Viktor , Svensson Sofie , Skrifvars Mikael
Published: February 2021

The purpose of this study was to investigate the influence of aging on the properties of high‐density polyethylene (HDPE) reinforced with multi‐wall carbon nanotubes (MWCNTs). Nanocomposites were prepared with nanotubes at 0, 1, 3, and 5 wt%. The long‐term durability of the prepared materials was evaluated by thermo‐oxidative aging test. Test bodies were aged at 110°C for up to 10 weeks. The nanocomposites were characterized by differential scanning calometry, thermogravimetric analysis (TGA), 13C‐NMR, elongation at break, and transmission electron microscopy. The aging mainly occurred on the surface of the samples and the neat HDPE showed a strong yellowing after the aging. A strong reduction in elongation at break was seen. For neat HDPE, the elongation at break was reduced from roughly 1400–25%. When HDPE was reinforced with the nanotubes, the reduction was less dramatic.
Credit crunch: Chinese infrastructure lending and Lao sovereign debt
Authors: Barney Keith , Souksakoun Kanya
Published: February 2021

Lao PDR's push for large infrastructure‐led economic growth has been delivered through a significant amount of financial leverage and a build‐up of sovereign debt obligations. The government now finds itself in danger of a sovereign default. This article traces the roots of this debt crisis over the past decade, focusing particularly on the role of hydropower. A significant share of infrastructure lending to Laos has been through Chinese policy banks. We argue that over‐lending to dam projects focused on the domestic energy market has been at the core of Laos' debt situation. Through 2020 the Lao Government has undertaken a series of restructuring measures, including privatisation of state assets, engaging in debt renegotiations with China, and attempts to secure new short‐term credit. We outline a range of other options Laos has to reschedule or restructure their sovereign debt, and offer policy targeted recommendations focusing on reforms in the energy sector.
Transcriptional changes revealed genes and pathways involved in the deficient testis caused by the inhibition of alkaline ceramidase (Dacer) in Drosophila melanogaster
Authors: Zhang Min‐Jing , Shi Xiao‐Xiao , Wang Ni , Zhang Chao , Zhang Chunhong , Quais Md Khairul , Ali Soomro Abid , Zhou Wenwu , Mao Cungui , Zhu Zeng‐Rong
Published: February 2021

Sphingolipids are ubiquitous structural components of eukaryotic cell membranes which are vital for maintaining the integrity of cells. Alkaline ceramidase is a key enzyme in sphingolipid biosynthesis pathway; however, little is known about the role of the enzyme in the male reproductive system of Drosophila melanogaster. To investigate the impact of alkaline ceramidase (Dacer) on male Drosophila, we got Dacer deficiency mutants (MUs) and found they displayed apparent defects in the testis's phenotype. To profile the molecular changes associated with this abnormal phenotype, we performed de novo transcriptome analyses of the MU and wildtype (WT) testes; and revealed 1239 upregulated genes and 1102 downregulated genes. Then, six upregulated DEGs (papilin [Ppn], croquemort [Crq], terribly reduced optic lobes [Trol], Laminin, Wunen‐2, collagen type IV alpha 1 [Cg25C]) and three downregulated DEGs (mucin related 18B [Mur18B], rhomboid‐7 [Rho‐7], CG3168) were confirmed through quantitative real‐time polymerase chain reaction in WT and MU samples. The differentially expressed genes were mainly associated with catalytic activity, oxidoreductase activity and transmembrane transporter activity, which significantly contributed to extracellular matrix‐receptor interaction, fatty acids biosynthesis as well as glycine, serine, and threonine metabolism. The results highlight the importance of Dacer in the reproductive system of D. melanogaster and provide valuable resources to dig out the specific biological functions of Dacer in insect reproduction.
Time‐scale analysis of integrated pulse profiles for PSR B0329 + 54
Authors: Chen Jian‐Ling , Liu Yi , Wang Hongguang , Zheng Xiaoping
Published: February 2021

The stability of the integrated profile of PSR B0329 + 54 at 1,540 MHz is studied with the observation data of the Nanshan 25‐m radio telescope of up to 453 hr from 2003 to 2009. We find that the profiles of two modes tend to stabilize at a faster rate first, then change to a slower rate, and then become rapidly stabilized again. It is also shown that there are distinct differences in the profile stability behaviors on the short, intermediate, and long timescales. Our results will be valuable for future research on random processes in pulsar radio radiation.
Glutathione S transferase T1 gene polymorphism and its promoter methylation are associated with breast cancer susceptibility in Egyptian women
Authors: Raafat Nermin , Ismail Khadiga , Hawsawi Nahed M. , Saber Taisir , Elsawy Wael H. , Abdulmutaleb Tariq , Raafat Ahmed , Gharib Amal F.
Published: February 2021

Background

Breast cancer (BC) is one of the leading causes of cancer mortality in women. Glutathione S‐transferase (GSTT1) is involved in activation of detoxification reactions and catalysis of chemicals conjugation with glutathione. GSTT1 genotype is a limiting factor for some environmental diseases. Epigenetic changes have an essential role in BC through inappropriate interaction between genomic and environmental risk factors.

Aim

This study was directed to explore the association of BC risk with GSTT1 genetic variations and its methylation status in Egyptian women.

Design and Methods

This study included 100 healthy women as the control group and 100 patients were clinically and histologically diagnosed with breast cancer. All blood samples were used for genomic DNA extraction. GSTT1 genotyping was accomplished by multiplex PCR and methylation‐specific PCR was used to analyze the GSTT1 promoter methylation status.

Results

Breast cancer patients showed significant incidence of null GSTT1 in relation to controls (p = 0.004). GSTT1 gene promoter methylation status showed significant difference between hypermethylated and unmethylated patients when compared with healthy subjects (p = 0.005). GSTT1 promoter methylation status was not significantly associated with null genotype. There was no significant association between GSTT1‐null genotypes and BC stage in cases with or without family history, but for promotor methylation, there was significant association with stage III and IV breast cancer disease.

Conclusion

GSTT1 null genetic variant and promoter hypermethylation in the GSTT region of the gene may be considered as critical risk factors for BC in Egyptian women.
One step ahead in the game: Predicting negotiation outcomes with guessing‐games measures
Authors: Hedberg Per H.
Published: February 2021

Lay intuition suggests that some people are better than others at strategic social interaction. Nonetheless, identifying reliable predictors of individual differences in negotiation performance has been difficult. In this investigation, we hypothesized that an individuals' skill in understanding the structure of socially interdependent situations, and in best responding to others' likely behavior in such situations, should predict their negotiation performance. We adapted existing and novel social guessing games to measure such skills. In a series of studies with students and business executives in Russia and Sweden, performance in the guessing games predicted better individual outcomes and better joint outcomes in dyadic negotiations. Guessing‐game performance remained predictive of both outcomes after proxies for general mental ability were controlled for. Potential applications to larger‐scale phenomena are discussed.
Bioluminescence of ctenophores near the boundary of oxygen‐depleted waters at the redoxcline of the Black Sea
Authors: Melnikov Victor , Melnik Alexandr , Mashukova Olga , Kapranov Sergey , Melnik Lidia
Published: February 2021

Vertical distribution of ctenophores near the boundary of oxygen‐depleted waters of the Black Sea redoxcline was studied by use of video observations with real‐time water sampling, horizontal MultiNet towing, and soundings using bathyphotometers with simultaneous vertical plankton net sampling. The results of the study showed for the first time that the daytime accumulation of ctenophores above the upper boundary of the suboxic zone changes the biophysical properties of the medium, causing an increase in the daytime intensity of bioluminescence near the redoxcline. The dynamics of this glow is in antiphase to that in the surface layers, where it is associated with the bioluminescence of phytoplankton. Therefore, in the deep‐sea areas, two types of bioluminescence peaks differ in the light generation sources: the nighttime glow of phytoplankton in surface layers and the daytime glow of zooplankton in layers of oxygen‐depleted waters at the redoxcline. The discovery of this new phenomenon allows the use of bioluminescent methods for the rapid assessment of the depth of the daytime zooplankton layers for the subsequent hauls of plankton nets. This significantly expands the possibilities of studying the structure and functioning of the pelagic ecosystem of the Black Sea and other marine basins with a redoxcline.
Low‐level determination of 4‐chlorobutyl‐(S)‐[4‐chloro‐2‐(4‐cyclopropyl‐1,1,1‐trifluoro‐2‐hydroxy‐but‐3yn‐2‐yl)phenyl] carbamate (4‐CTHC) in efavirenz drug substance by LC–MS
Authors: Mallavarapu Ravindra , Katari Naresh Kumar , Dongala Thirupathi , Anand Krishnan , Marisetti Vishnu Murthy
Published: February 2021

A rapid, simple, sensitive, and selective liquid chromatography–tandem mass spectrometry (LC–MS) test method was developed and validated for the trace level determination of 4‐chlorobutyl‐(S)‐[4‐chloro‐2‐(4‐cyclopropyl‐1,1,1‐trifluoro‐2‐hydroxy‐but‐3yn‐2‐yl)phenyl] carbamate (4‐CTHC). 4‐CTHC is a potential genotoxic impurity in efavirenz drug substance and the acceptable level is 2.5 μg ml−1 with respect to analyte concentration according to ICH M7(R1) Multidisciplinary Guidelines M7(R1). The LC–MS/MS analysis of 4‐CTHC impurity was carried out on a Kinetex C18 (150 × 4.6 mm, 5.0 μm) column. In this test procedure, the mobile phase was prepared with buffer (0.1% formic acid in water) and acetonitrile in the ratio of 1:3 (v/v). The method set flow rate was 0.4 ml min−1. The method was developed with a short run time of <10 min. Selective ion monitoring acquisition mode and negative polarity electrospray ionization mode were used as an MS method to quantify genotoxic impurities at 422.25 Da. The method showed linearity in a range of 0.64–3.71 μg ml−1 with a correlation coefficient of 0.9992. The RSD for intra‐day and inter‐day precision was found to be <5%. The method’s accuracy was in the range of 106.5–112.4% for the genotoxic impurity of 4‐CTHC. The procedure was validated as per the current ICH Q2 (R1) guidelines and proved suitable for stability testing in the quality control laboratory for pharmaceutical preparations.
Dual Digitally Guided Crown Lengthening in Esthetic Area Compromised by Disharmonic Implant Crown
Authors: Andrade Nathalia , Moura Guilherme , Maska Bartosz , Kaigler Darnell , Mendonça Gustavo , Wang Hom‐Lay
Published: February 2021

Introduction

A disharmonious smile results from excessive gingival exposure or gingival margin misalignment is a frequent finding in patients. The most common cause is altered passive eruption; however, in the case presented here, the esthetics of the smile is compromised also due to an inadequate implant placement and crown fabrication.

Case presentation

This case presented a combination of altered passive eruption and a buccally as well as deeply placed implant crown (#10) that led to disproportionate dimensions of an upper lateral incisor. Dual digitally guided crown lengthening surgical procedure for teeth #5 to #12 was performed aiming a better harmony of the smile. Treatment also included placement of tooth veneers and re‐made of implant crown. A pleasant smile with appropriate colors and proportions was achieved. All esthetic and periodontal health parameters were maintained throughout the follow‐up period (1 year).

Conclusion

The use of dual digitally guided crown lengthening help to accomplish precision and stability of esthetic outcome, as it guides for both, bone and soft tissue removal. Particularly, in challenging cases with high esthetic demand and complicated factors present, such as the case presented here, the digital approach provides tools to attain excellent treatment outcome.
Expression of farnesyl pyrophosphate synthase is increased in diabetic cardiomyopathy
Authors: Li Zhengwei , Zhang Jiefang , Wang Min , Qiu Fuyu , Jin Chongyin , Fu Guosheng
Published: February 2021

Farnesyl pyrophosphate synthase (FPPS)‐catalyzed isoprenoid intermediates are involved in diabetic cardiomyopathy. This study investigated the specific role of FPPS in the development of diabetic cardiomyopathy. We demonstrated that FPPS expression was elevated in both in vivo and in vitro models of diabetic cardiomyopathy. FPPS inhibition decreased the expression of proteins related to cardiac fibrosis and cardiomyocytic hypertrophy, including collagen I, collagen III, connective tissue growth factor, natriuretic factor, brain natriuretic peptide, and β‐myosin heavy chain. Furthermore, FPPS inhibition and knockdown prevented phosphorylated c‐Jun N‐terminal kinase 1/2 (JNK1/2) activation in vitro. In addition, a JNK1/2 inhibitor downregulated high‐glucose‐induced responses to diabetic cardiomyopathy. Finally, immunofluorescence revealed that cardiomyocytic size was elevated by high glucose and was decreased by zoledronate, small‐interfering farnesyl pyrophosphate synthase (siFPPS), and a JNK1/2 inhibitor. Taken together, our findings indicate that FPPS and JNK1/2 may be part of a signaling pathway that plays an important role in diabetic cardiomyopathy.
Mitral valve‐in‐ring: Simply complicated
Authors: Eng Marvin H. , Verma Divya Ratan
Published: February 2021

Key Points

Long anterior mitral valve leaflets are an additional risk factor for left ventricular outflow tract (LVOT) obstruction independent of small predicted neo‐LVOT.

Mitral valve‐in‐ring is prone to lower rates of technical success due to paravalvular leak and frequent need for second valve implantation.

Three‐dimensional shaped rings are more challenging to treat and have higher rates of paravalvular leak.
Effect of heat treatment on the structure and digestion properties of oat globulin
Authors: He Ting , Wang Jing , Hu Xinzhong
Published: February 2021

Background and objectives

The heat treatment required for deactivation of enzymes was carried out in crop species such as oats to retain its desirable shelf life, but it may lead to a reduction in nutritive value and denaturation of globulin. This study compared the effect of two heat treatments, stirring roasting (240°C, 15 min; OFG) and kiln roasting (140°C, 45 min; OMG), on structure and digestion properties of oat globulins.

Findings

The results showed that compared with control oat globulin (OCG), both heat treatments decreased the content of amino acid in the oat globulins. The increase in roasting temperature (from 140°C to 240°C) led to the change in the secondary structure in oat globulins, with a decrease in β‐sheet and β‐turn contents, and an increase in α‐helix and random coil contents. Scanning electron microscopy showed that the structure of OFG was fragmented into small clumps. Compared with kiln roasting (140°C), stirring roasting (240°C) decreased average molecular weight, peak viscosity, and denaturation enthalpy but increased viscosity and in vitro digestibility of oat globulin.

Conclusions

Compared with kiln roasting, stirring roasting increased in vitro digestibility of oat globulin and contributed to the taste, but the nutritional loss was greater.

Significance and novelty

Two heat treatment methods for enzymatic inactivation were compared regarding the effect on the structure and in vitro digestibility of oat globulin, indicating that higher temperature increased digestibility of oat globulin.
Assessment of CYP2C9 Structural Models for Site of Metabolism Prediction
Authors: Zhang Xiaoxiao , Xu Minjie , Wu Zengrui , Liu Guixia , Tang Yun , Li Weihua
Published: February 2021

Structure‐based prediction of a compound's potential sites of metabolism (SOMs) mediated by cytochromes P450 (CYPs) is highly advantageous in the early stage of drug discovery. However, the accuracy of the SOMs prediction can be influenced by several factors. CYP2C9 is one of the major drug‐metabolizing enzymes in humans and is responsible for the metabolism of ∼13 % of clinically used drugs. In this study, we systematically evaluated the effects of protein crystal structure models, scoring functions, heme forms, conserved active‐site water molecules, and protein flexibility on SOMs prediction of CYP2C9 substrates. Our results demonstrated that, on average, ChemScore and GlideScore outperformed four other scoring functions: Vina, GoldScore, ChemPLP, and ASP. The performance of the crystal structure models with pentacoordinated heme was generally superior to that of the hexacoordinated iron‐oxo heme (referred to as Compound I) models. Inclusion of the conserved active‐site water molecule improved the prediction accuracy of GlideScore, but reduced the accuracy of ChemScore. In addition, the effect of the conserved water on SOMs prediction was found to be dependent on the receptor model and the substrate. We further found that one of snapshots from molecular dynamics simulations on the apo form can improve the prediction accuracy when compared to the crystal structural model.
Macaque monkey trigeminal blink reflex circuits targeting orbicularis oculi motoneurons
Authors: May Paul J. , Warren Susan
Published: February 2021

The trigeminal blink reflex plays an important role in protecting the corneal surface from damage and preserving visual function in an unpredictable environment. The closing phase of the human reflex, produced by activation of the orbicularis oculi (ObOc) muscles, consists of an initial, small, ipsilateral R1 component, followed by a larger, bilateral R2 component. We investigated the circuitry that underlies this reflex in macaque (Macaca fascicularis and Macaca mulatta) monkeys by the use of single and dual tracer methods. Injection of retrograde tracer into the facial nucleus labeled neurons in the principal trigeminal nucleus, and in the spinal nucleus pars oralis and interpolaris, bilaterally, and in pars caudalis, ipsilaterally. Injection of anterograde tracer into the principal trigeminal nucleus labeled axons that directly terminated on ObOc motoneurons, with an ipsilateral predominance. Injection of anterograde tracer into pars caudalis of the spinal trigeminal nucleus labeled axons that directly terminated on ipsilateral ObOc motoneurons. The observed pattern of labeling indicates that the reticular formation ventromedial to the principal and spinal nuclei also contributes extensive bilateral input to ObOc motoneurons. Thus, much of the trigeminal sensory complex is in a position to supply a monosynaptic drive for lid closure, and the adjacent reticular formation can supply a disynaptic drive. These findings indicate that the assignment of the R1 and R2 components of the blink reflex to different parts of the trigeminal sensory complex cannot be exclusively based on subdivision connectional relationships with facial motoneurons. The characteristics of the R2 component may be due, instead, to other circuit properties.
The predictive power of C‐reactive protein‐ lymphocyte ratio for in‐hospital mortality after colorectal cancer surgery
Authors: Mungan İbrahim , Bostancı Erdal Birol , Türksal Erbil , Tezcan Büşra , Aktaş Mehmet Nesim , Can Müçteba , Kazancı Dilek , Turan Sema
Published: February 2021

Background

The relation between immunity, inflammation, and tumor development and progression has been emphasized in colorectal cancer widely and the prognosis is linked to the inflammatory reaction of the host as well as the biological behavior of the tumor.

Aim

In this study, we aimed to find out the predictive power of C‐reactive protein‐ lymphocyte ratio (CLR) for in‐hospital mortality after colorectal surgery.

Methods and Results

A series of 388 CRC patients were enrolled in the present retrospective study which was conducted in a tertiary state Hospital in Ankara, Turkey. In‐hospital mortality was the main outcome to evaluate the predictive power of inflammatory markers, while the other outcomes that would be evaluated as separate variables were LOS in hospital and LOS in ICU.

In this study, there were 260 males and 128 females, and the mean age was 60.9. The in‐hospital mortality rate was 3.4% (n = 13) and age, APACHE II score and Charlson comorbidity index score were related to in‐hospital mortality statistically. The mean LOS in the hospital was 13.9 days and LOS in ICU was 4.5 days. The CRP levels and the CLR levels were higher both in the preoperative and postoperative periods in the mortality (+) group and the difference was significant statistically (P = .008/ .002 and .004/ <.001, respectively). CLR in the postoperative period had the best predictive power with AUC: 0.876.

Conclusion

In conclusion, within the context of our study there appears to be a relationship between CLR, as measured on day 2 postoperatively, and in‐hospital mortality. It is observed to be more effective than NLR, ALC, and CRP.
A self‐adjusting task granularity mechanism for the Java lifeline‐based global load balancer library on many‐core clusters
Authors: Finnerty Patrick , Kamada Tomio , Ohta Chikara
Published: February 2021

Global load balancer libraries should be easy to use and allow users to easily obtain good performance for their applications on a variety of distributed systems. In this article, we introduce a new tuning mechanism to our Java implementation of the lifeline‐based global load balancer which automatically adjusts the task granularity to reach good performance based on some selected runtime metrics. We evaluate our system against four backtrack‐search problems on both a many‐core supercomputer environment and on a beowulf server, achieving ideal performance with our tuning mechanism on the supercomputer. We also identify the limits of our mechanism in handling situations with reduced imbalance.
Content‐based and knowledge graph‐based paper recommendation: Exploring user preferences with the knowledge graphs for scientific paper recommendation
Authors: Tang Hao , Liu Baisong , Qian Jiangbo
Published: February 2021

Researchers usually face difficulties in finding scientific papers relevant to their research interests due to increasing growth. Recommender systems emerge as a leading solution to filter valuable items intelligently. Recently, deep learning algorithms, such as convolutional neural network, improved traditional recommendation technologies, for example, the graph‐based or content‐based methods. However, existing graph‐based methods ignore high‐order association between users and items on graphs, and content‐based methods ignore global features of texts for explicit user preferences. Therefore, this paper proposes a Content‐based and knowledge Graph‐based Paper Recommendation method (CGPRec), which uses a two‐layer self‐attention block to obtain global features of texts for more complete explicit user preferences, and proposes an improved graph convolutional network for modeling high‐order associations on the knowledge graph to mine implicit user preferences. And the knowledge graph in this paper is constructed with concept nodes, user nodes, paper nodes, and other meta‐data nodes. Experimental results on a public dataset, CiteULike‐a, and a real application log dataset, AHData, show that our model outperforms compared with baseline methods.