bluuebunny/crossref_metadata_2025 huggingface dataset:
Pyrolysis of Microalgae Chlorella sp. using Activated Carbon as Catalyst for Biofuel Production
Authors: Aswie Viqhi , Qadariyah Lailatul , Mahfud Mahfud
Published: March 2021

Microalgae, as a potential raw material for biofuel, has several advantages compared to other biomass. One effective way to convert microalgae into biofuel is by thermal cracking or pyrolysis, and using a catalyst or not. So far, studies on the use of microalgae, that are converted into biofuels, is still use highly concentrated catalysts in packed bed reactors, which is not economical. Therefore, the aim of this study is to convert Chlorella sp. into biofuels with conventional pyrolysis without and using an activated carbon catalyst using packed bed reactor with bubble column. The reaction temperature is 400–600 °C, pyrolysis time is 1–4 hours, and the active carbon catalyst concentration is 0–2%. The 200 grams of Chlorella sp. and the catalyst was mixed in a fixed bed reactor under vacuum (−3 mm H20) condition. Next, we set the reaction temperature. When the temperature was reached, the pyrolysis was begun. After certain time was reached, the pyrolysis produced a liquid oil product. Oil products are measured for density and viscosity. The results showed that the conventional pyrolysis succeeded in converting microalgae Chlorella sp. into liquid biofuels. The highest yield of total liquid oil is obtained 50.2 % (heavy fraction yield, 43.75% and light fraction yield, 6.44%) at the highest conditions which was obtained with 1% activated carbon at a temperature and pyrolysis time of 3 hours. Physical properties of liquid biofuel are density of 0.88 kg/m3 and viscosity of 5.79 cSt. This physical properties are within the range of the national biodiesel standard SNI 7182-2012. The packed bed reactor completed with bubble column is the best choice for converting biofuel from microalgae, because it gives different fractions, so that it is easier to process further to the commercial biofuel stage. Copyright © 2021 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).
Effect of Calcination Temperature on the Photocatalytic Activity of Zn2Ti3O8 Materials for Phenol Photodegradation
Authors: Priyangga Krisfian Tata Aneka , Kurniawan Yehezkiel Steven , Yuliati Leny
Published: March 2021

Zinc titanate (Zn2Ti3O8) is a bimetal oxide material that is especially attractive as a photocatalyst. In the preparation of the Zn2Ti3O8, the calcination temperature is a crucial parameter. Hence, in the present work, we aimed to synthesize the Zn2Ti3O8 materials from zinc(II) nitrate and titanium(IV) isopropoxide as precursors by using a sol-gel method and followed by calcination at 700, 900, and 1100 °C to give ZT-700, ZT-900, and ZT-100 materials, respectively. The ZT materials were characterized using Fourier transform infrared (FTIR), diffuse reflectance ultraviolet-visible (DR UV-vis), and fluorescence spectroscopies. It was confirmed that the ZT materials contained O−Ti−O, Zn−O−Ti, Zn−O, Ti−O−Ti, and Ti−O functional groups as shown from their FTIR spectra. Similar fluorescence properties were only observed on the ZT-700 and ZT-900. From the bandgap energy analysis, ZT-700 and ZT-900 contained spinel and cubic Zn2Ti3O8 (spl-Zn2Ti3O8 and c-Zn2Ti3O8) crystal phases), while ZT-1100 contained c-Zn2TiO4 and TiO2 rutile crystal phases. The kinetic analysis of photocatalytic phenol degradation showed that both ZT-700 and ZT-900 materials exhibited high photocatalytic activity with the reaction rate constants of 0.0353 and 0.0355 h−1, respectively. These values were higher than that of the ZT-1100 (0.0206 h−1). This study demonstrated that calcination at 700 and 900 °C resulted in the formation of the spl-Zn2Ti3O8 and c-Zn2Ti3O8 phases, which were effective as the photocatalyst, but the formation of c-Zn2TiO4 and rutile TiO2 at calcination of 1100 °C deteriorated the photocatalytic activity. Copyright © 2021 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).
Dehalococcoidaceae
Authors: Moe William M. , Löffler Frank E.
Published: March 2021

De.ha.lo.coc.coi.da.ce'ae. N.L. masc. n.
Dehalococcoides
type genus of the family; suff. ‐
aceae
ending to denote a family; N.L. fem. pl. n.
Dehalococcoidaceae
the family of the genus
Dehalococcoides
.

Chloroflexi / Dehalococcoidia / Dehalococcoidales / Dehalococcoidaceae

Phylogenetically, a member of the order
Dehalococcoidales
. Cells of
Dehalococcoidaceae
genera are irregular cocci or disc‐shaped. Nonmotile, nonspore‐forming, and nonpigmented. Gram stain‐variable or Gram‐negative staining. Strictly anaerobic. Mesophilic. Optimum pH of about 7.0. Organohalide‐respiring metabolism. Possess multiple, nonidentical reductive dehalogenase genes. Hydrogenotrophic. May or may not utilize formate as an electron donor. Resistant to antibiotics that interfere with peptidoglycan biosynthesis. Dominant cellular fatty acids vary between species and include even‐carbon‐number, straight‐chain saturated fatty acids, monounsaturated, and/or mid‐chain branched saturated fatty acids. The family includes the genera
Dehalococcoides
and
Dehalogenimonas
. Members of the family were isolated or enriched from anaerobically digested sewage sludge, sediment, groundwater, soil, and grape pomace.

DNA G + C content (mol%)
: 46.8–56.3 (genome analysis).

Type genus
:
Dehalococcoides
Löffler et al. 2013.
Labilibacter
Authors: Lu De‐Chen , Du Zong‐Jun
Published: March 2021

La.bi.li.bac'ter. L. masc. adj.
labilis
, gliding; N.L. masc. n.
bacter
, rod; N.L. masc. n.
Labilibacter
, gliding rod.

Bacteroidetes / Bacteroidia / Bacteroidales / Marinilabiliaceae / Labilibacter

Labilibacter
is a genus within the family
Marinilabiliaceae
, order
Bacteroidales
, class
Bacteroidia
, and phylum
Bacteroidetes
. It currently includes three species –
Labilibacter sediminis
,
Labilibacter aurantiacus
, and
Labilibacter marinus
– isolated from marine sediment or sea squirts (
Styela clava
). Colonies of
Labilibacter
are circular and yellow or orange. The three species of the genus show different features, including the ability to hydrolyze gelatin, starch and produce indole and valine arylamidase. The major fatty acids are iso‐C
15:0
and anteiso‐C
15:0
. The major respiratory quinone is MK‐7. The polar lipid profile of the genus contains unidentified lipid, phospholipid, aminophospholipid, phosphatidylethanolamine, and aminolipid. The size of the genome is between 5.88 and 6.37 Mb. 16S rRNA gene sequence analysis indicated that the closest phylogenetic relatives of the genus
Labilibacter
are members of the genera
Saccharicinis
and
Carboxylicivirga
.

DNA G + C content (mol%)
: 35.1–35.9 (genome), 35.1–36.1 (HPLC).

Type species
:
Labilibacter aurantiacus
Lu et al. 2017
VP
.
Ni (II) Coordination Supramolecular Grids for Aqueous Nickel‐Zinc Battery Cathodes
Authors: Zhang Xiyue , He Jinjun , Zhou Lijun , Zhang Haozhe , Wang Qiushi , Huang Binbin , Lu Xihong , Tong Yexiang , Wang Chunsheng
Published: March 2021

Aqueous rechargeable nickel‐zinc batteries (NZBs) have the advantages of economical cost and reliable safety. Despite reports of success in achieving high‐utilization and stable Zn anodes, the practical application of NZBs has been plagued by the restrictive capacity density and degradation of the Ni‐based cathode. Herein, it is reported that nickel‐ligand coordination grids (NCGs) with a high theoretical capacity of 128.12 mAh g−1 offer a fast faradic reaction while maintaining good reversibility due to the abundant open metal sites and flexible network structures. In situ and ex situ characterizations demonstrate that the graphene nanosheet (GN) modification of NCGs supramolecular substantially boosts surface charge and reducing the work function of supramolecular compounds. A Ni//Zn battery using such a graphene organic‐inorganic material (G‐NCGs) achieve a high gravimetric capacity of 113.8 mAh g−1 at 0.5 A g−1 with 50% of its initial capacitance retained after 2000 cycles and an exceptional rate capacity of 43.3 mAh g−1 even at the current density of 5.0 A g−1.
Antimony Nanopolyhedrons with Tunable Localized Surface Plasmon Resonances for Highly Effective Photoacoustic‐Imaging‐Guided Synergistic Photothermal/Immunotherapy
Authors: Chen Yu , Wang Meng , Zheng Kai , Ren Yaguang , Xu Hao , Yu Zhongzheng , Zhou Feifan , Liu Chengbo , Qu Junle , Song Jun
Published: March 2021

Antimony (Sb), a typical group VA semimetal, has rarely been studied both experimentally and theoretically in plasmonic photothermal therapy, possibly due to the lack of effective morphology‐controllable methods for the preparation of high‐quality Sb nanocrystals. In this study, an effective ligand‐guided growth strategy to controllably synthesize Sb nanopolyhedrons (Sb NPHs) with ultrahigh photothermal conversion efficiency (PTCE), good photothermal stability, as well as biocompatibility is presented. Furthermore, the modulation effect of different morphologies on localized surface plasmon resonance (LSPR) of Sb NPHs in experimentation is successfully observed. When the resonance frequency of the Sb NPHs is matched well with the excitation wavelength (808 nm), the PTCE of the Sb NPHs is as high as 62.1%, which is noticeably higher compared to most of the reported photothermal agents. The Sb NPHs also exhibit good photothermal stability. In addition, Sb‐NPHs‐based multifunctional nanomedicines are further constructed via loading 1‐methyl‐d‐tryptophan on PEGylated Sb NPHs for a highly efficient photoacoustic‐imaging‐guided synergistic photothermal/immune‐therapy of tumors in vivo. This work can stimulate further theoretical and experimental investigations of Sb NPHs and other semimetal nanomaterials regarding their LSPR properties and inspire various potential applications of semimetals in biomedicine and sensors.
One‐Dimensional Epsilon‐Near‐Zero Crystals
Authors: Caligiuri Vincenzo , Biffi Giulia , Patra Aniket , Pothuraju Renuka Devi , De Luca Antonio , Krahne Roman
Published: March 2021

Alternating multilayer architectures are an ideal framework to tailor the properties of light. In photonic crystals, dielectrics with different refractive indices are periodically arranged to provide a photonic bandgap. Herein, it is shown that a periodic arrangement of metal/insulator layers gives rise to an Epsilon‐Near‐Zero (ENZ) crystal with distinct bands of vanishing permittivity. The analogy of metal/insulator/metal (MIM) cavities to wave mechanics that describes them as quantum‐wells for photons is elaborated, and the Kronig–Penney (KP) model is applied to MIM multilayers. This KP modeling allows to extract the density of ENZ states, evidencing a significant increase at the band edges, which makes ENZ crystals appealing for lasing applications. The ENZ bandwidth can be tuned by the thickness of the metal layers and can span the entire visible range, and the interactions between bands of two different cavity subsystems in more complex ENZ crystals enable more elaborate ENZ band engineering. Finally, the difference between the ENZ crystals and hyperbolic metamaterials is elucidated and the conditions that separate these two regimes are quantified. The ENZ crystals constitute a new paradigm in the study of metal/insulator multilayers, and showcase a promising platform for light–matter interaction in photonic and plasmonic technologies.
Phase‐Transition‐Induced VO2 Thin Film IR Photodetector and Threshold Switching Selector for Optical Neural Network Applications
Authors: Zhou Xi , Zhao Liang , Zhen Weili , Lin Yinyue , Wang Chunlin , Pan Tianyu , Li Le , Du Guanlin , Lu Linfeng , Cao Xun , Li Dongdong
Published: March 2021

As the architecture of choice for future artificial‐intelligent systems, the ideas of in‐memory‐ and in‐sensor‐computing paradigms based on non‐von‐Neumann architecture possess broad application prospects such as neuromorphic and sensor‐memory‐processor fusion systems. At the same time, these promising applications put diversified and strict requirements on the device performances, such as fast response to external signals, robust data security, and 3D integration potential. In this work, Au@VO2 IR photodetectors and Ti/Au/VO2/Ti/Au threshold switching selectors are constructed, where the VO2 thin films are realized by magnetron sputtering and water‐vapor assisted post‐annealing. Fast IR response is achieved in Au@VO2 photodetectors through a surface plasmon resonance‐assisted metal‐insulator transition. Furthermore, electroforming‐free, tunable threshold voltage, steep switching slope, and selectivity of more than two orders of magnitude are observed in Ti/Au/VO2/Ti/Au threshold switching selector. Combining the functionalities of photodetection and selector, a VO2‐based optical convolution engine demonstrates accurate and secure image‐processing capability. These VO2‐based devices are demonstrated as promising candidates for novel non‐volatile memory, neuromorphic computing and sensor‐memory‐processor fusion applications.
Non‐Local Electron‐Phonon Interaction in Naphthalene Diimide Derivatives, its Experimental Probe and Impact on Charge‐Carrier Mobility
Authors: Vener Mikhail V. , Parashchuk Olga D. , Kharlanov Oleg G. , Maslennikov Dmitry R. , Dominskiy Dmitry I. , Yu. Chernyshov Ivan , Yu. Paraschuk Dmitry , Yu. Sosorev Andrey
Published: March 2021

Efficient operation of organic electronic devices requires high charge‐carrier mobilities in their active layers, but only several organic semiconductors show confirmed charge‐carrier mobilities exceeding that of amorphous silicon (≈1 cm2V−1s−1). Charge transport in high‐mobility organic semiconductor crystals is considerably hindered by non‐local electron‐phonon interaction (NLEPI) transforming dynamic disorder induced by low‐frequency (LF) vibrations into fluctuations of charge transfer integrals. In this work, using two crystals of naphthalene diimide derivatives as an example, LF vibrational modes that strongly modulate the charge transfer integrals are computationally revealed. The importance of the discussed LF modes for limiting the charge‐carrier mobility is justified by analyzing the effect of the dynamic disorder on the charge‐carrier dynamics, estimating the charge‐carrier mobility in the two crystals, and observing quite a good agreement of the latter with the experimental values. Finally, it is shown that the contribution of various modes to the NLEPI correlates with their experimental Raman intensities. As a result, it is suggested that LF Raman spectroscopy can be used for experimental study of NLEPI, which can help with screening organic semiconductors showing high charge‐carrier mobility and promote rational design of such materials.
Surface/Interface Structure and Chemistry of Lithium–Sulfur Batteries: From Density Functional Theory Calculations’ Perspective
Authors: Shen Jiadong , Wang Zhuosen , Xu Xijun , Liu Zhengbo , Zhang Dechao , Li Fangkun , Li Yu , Zeng Liyan , Liu Jun
Published: March 2021

Nowadays, the rapid development of portable electronic products and low‐emission electric vehicles is putting forward higher requirements for energy‐storage systems. Lithium–sulfur (Li–S) batteries with an ultrahigh energy density (2500 Wh kg−1) are considered the most promising candidates for next‐generation rechargeable batteries. However, the low conductivity of sulfur, the shuttle effect of lithium polysulfide (LPS), and inadequate safety caused by lithium dendrite formation limit their practical applications. In the research of Li–S batteries, it is observed that the surface/interface structure and chemistry of sulfur host materials play significant roles in the performance of Li–S batteries. The reason is that the adsorption/conversion of LPS mainly occurs on the surface/interface of host materials. The functional hosts are used to prevent the polysulfide shuttle or catalyze Li–S conversion reactions (enhance the reaction kinetics), and density functional theory (DFT) is used to understand the mechanism of the interaction between host and polysulfides. Herein, the surface/interface structure and chemistry of sulfur host materials involving structural factors and adsorption/conversion mechanisms of LPS (based on DFT calculation) on the interface are demonstrated. Finally, the remaining challenges, such as the fundamental studies and commercialized applications, as well as the future research directions are discussed.
Biosystematic studies on the status of Solanum chilense
Authors: Raduski Andrew R. , Igić Boris
Published: March 2021

Premise

Common taxonomic practices, which condition species' descriptions on diagnostic morphological traits, may systematically lump outcrossing species and unduly split selfing species. Specifically, higher effective population sizes and genetic diversity of obligate outcrossers are expected to result less reliable phenotypic diagnoses. Wild tomatoes, members of Solanum sect. Lycopersicum, are commonly used as a source of exotic germplasm for improvement of the cultivated tomato, and are increasingly employed in basic research. Although the section experienced significant early work, which continues presently, the taxonomic status of many wild species has undergone a number of significant revisions and remains uncertain. Species in this section vary in their breeding systems, notably the expression of self‐incompatibility, which determines individual propensity for outcrossing

Methods

Here, we examine the taxonomic status of obligately outcrossing Chilean wild tomato (Solanum chilense) using reduced‐representation sequencing (RAD‐seq), a range of phylogenetic and population genetic analyses, as well as analyses of crossing and morphological data.

Results

Overall, each of our analyses provides a considerable weight of evidence that the Pacific coastal populations and Andean inland populations of the currently described Solanum chilense represent separately evolving populations, and conceal at least one undescribed cryptic species.

Conclusions

Despite its vast economic importance, Solanum sect. Lycopersicon still exhibits considerable taxonomic instability. A pattern of under‐recognition of outcrossing species may be common, not only in tomatoes, but across flowering plants. We discuss the possible causes and implications of this observation, with a focus on macroevolutionary inference.
Control of Triplet Blinking Using Cyclooctatetraene to Access the Dynamics of Biomolecules at the Single‐Molecule Level
Authors: Xu Jie , Fan Shuya , Xu Lei , Maruyama Atsushi , Fujitsuka Mamoru , Kawai Kiyohiko
Published: March 2021

To explore the dynamics of biomolecules, tracing the kinetics of photo‐induced chemical reactions via the triplet excited state (T1) of probe molecules offers a timescale that is about 106 times wider than via the singlet excited state (S1). Using cyclooctatetraene (COT) as a triplet energy acceptor and at the same time as a photostabilizer, the triplet–triplet energy transfer (TTET) kinetics governed by oligonucleotide (oligo) dynamics were studied at the single‐molecule level by measuring fluorescence blinking. TTET kinetics measurement allowed us to access the length‐ and sequence‐dependent dynamics of oligos and realize the single‐molecule detection of a model microRNA biomarker. In sharp contrast to the singlet–singlet Förster resonance energy transfer (FRET) that occurs in the 1–10 nm range, TTET requires a Van der Waals contact. The present method is thus a complementary method to FRET and provides direct information on biomolecular dynamics on the μs to ms timescale.
Chirogenesis and Amplification of Molecular Chirality Using Optical Vortices
Authors: Sakamoto Masami , Uemura Naohiro , Saito Rei , Shimobayashi Haruna , Yoshida Yasushi , Mino Takashi , Omatsu Takashige
Published: March 2021

The study of chirogenesis of organic molecules is important to elucidate the origin of the homochirality of biomolecules on Earth. Here, we have accomplished chiral symmetry breaking from a racemate using optical vortices with orbital angular momentum and a helical wavefront. We propose a new methodology of asymmetric transformation by the combination of enantioselective crystal nucleation by irradiation with optical vortices and crystallization‐induced dynamic optical resolution of conglomerate crystals. Chiral green vortices generated using a spiral phase plate (SPP) with a 532 nm CW‐laser were used to irradiate a supersaturated solution of a racemic isoindolinone, leading to crystal nucleation. The handedness of the crystals were controlled by the winding direction of the chiral optical vortices. The molecular chirality of the isoindolinone was then amplified by dynamic crystallization.
Exploring Structure and Function of Redox Intermediates in [NiFe]‐Hydrogenases by an Advanced Experimental Approach for Solvated, Lyophilized and Crystallized Metalloenzymes
Authors: Lorent Christian , Pelmenschikov Vladimir , Frielingsdorf Stefan , Schoknecht Janna , Caserta Giorgio , Yoda Yoshitaka , Wang Hongxin , Tamasaku Kenji , Lenz Oliver , Cramer Stephen P. , Horch Marius , Lauterbach Lars , Zebger Ingo
Published: March 2021

To study metalloenzymes in detail, we developed a new experimental setup allowing the controlled preparation of catalytic intermediates for characterization by various spectroscopic techniques. The in situ monitoring of redox transitions by infrared spectroscopy in enzyme lyophilizate, crystals, and solution during gas exchange in a wide temperature range can be accomplished as well. Two O2‐tolerant [NiFe]‐hydrogenases were investigated as model systems. First, we utilized our platform to prepare highly concentrated hydrogenase lyophilizate in a paramagnetic state harboring a bridging hydride. This procedure proved beneficial for57Fe nuclear resonance vibrational spectroscopy and revealed, in combination with density functional theory calculations, the vibrational fingerprint of this catalytic intermediate. The same in situ IR setup, combined with resonance Raman spectroscopy, provided detailed insights into the redox chemistry of enzyme crystals, underlining the general necessity to complement X‐ray crystallographic data with spectroscopic analyses.
Multicolor Mechanofluorophores for the Quantitative Detection of Covalent Bond Scission in Polymers
Authors: Baumann Christoph , Stratigaki Maria , Centeno Silvia P. , Göstl Robert
Published: March 2021

The fracture of polymer materials is a multiscale process starting with the scission of a single molecular bond advancing to a site of failure within the bulk. Quantifying the bonds broken during this process remains a big challenge yet would help to understand the distribution and dissipation of macroscopic mechanical energy. We here show the design and synthesis of fluorogenic molecular optical force probes (mechanofluorophores) covering the entire visible spectrum in both absorption and emission. Their dual fluorescent character allows to track non‐broken and broken bonds in dissolved and bulk polymers by fluorescence spectroscopy and microscopy. Importantly, we develop an approach to determine the absolute number and relative fraction of intact and cleaved bonds with high local resolution. We anticipate that our mechanofluorophores in combination with our quantification methodology will allow to quantitatively describe fracture processes in materials ranging from soft hydrogels to high‐performance polymers.
Asymmetric Total Synthesis of Sarpagine and Koumine Alkaloids
Authors: Yang Zhao , Tan Qiuyuan , Jiang Yan , Yang Jiaojiao , Su Xiaojiao , Qiao Zhen , Zhou Wenqiang , He Ling , Qiu Hanyue , Zhang Min
Published: March 2021

We report here a concise, collective, and asymmetric total synthesis of sarpagine alkaloids and biogenetically related koumine alkaloids, which structurally feature a rigid cage scaffold, with L‐tryptophan as the starting material. Two key bridged skeleton‐forming reactions, namely tandem sequential oxidative cyclopropanol ring‐opening cyclization and ketone α‐allenylation, ensure concurrent assembly of the caged sarpagine scaffold and installation of requisite derivative handles. With a common caged intermediate as the branch point, by taking advantage of ketone and allene groups therein, total synthesis of five sarpagine alkaloids (affinisine, normacusine B, trinervine, Na‐methyl‐16‐epipericyclivine, and vellosimine) with various substituents and three koumine alkaloids (koumine, koumimine, and N‐demethylkoumine) with more complex cage scaffolds has been accomplished.
NORD: NO Relaxation Delay NMR Spectroscopy
Authors: Nagy Tamás Milán , Kövér Katalin E. , Sørensen Ole W.
Published: March 2021

The novel concept of NORD (NO relaxation delay) NMR spectroscopy is introduced. The idea is to design concatenated experiments in a way that the magnetization used in the first relaxes toward equilibrium during the second and vice versa, thus saving instrument time. Applications include complete well‐resolved 1H‐1H and 1H‐13C one‐bond and long‐range correlation maps of an 80 mM solution of a trisaccharide recorded in less than two minutes and hydrocortisone with extensive spectral overlap.
Kinetic Resolution of Tertiary Benzyl Alcohols via Palladium/Chiral Norbornene Cooperative Catalysis
Authors: Hua Yu , Liu Ze‐Shui , Xie Pei‐Pei , Ding Bo , Cheng Hong‐Gang , Hong Xin , Zhou Qianghui
Published: March 2021

Herein we report a highly enantioselective kinetic resolution of tertiary benzyl alcohols via palladium/chiral norbornene cooperative catalysis. With simple aryl iodides as the resolution reagent, a wide range of readily available racemic tertiary benzyl alcohols are applicable to this method. Both chiral tertiary benzyl alcohols and benzo[c]chromene products are obtained in good to excellent enantioselectivities (selectivity factor up to 544). The appealing synthetic utility of the obtained enantioenriched tertiary alcohols is demonstrated by the facile preparation of several valuable chiral heterocycles. Preliminary mechanism studies include DFT calculations to explain the origin of enantiodiscrimination and control experiments to uncover the formation of a transient axial chirality during the kinetic resolution step.
Microfibers nanocomposite based on polyacrylonitrile fibers/bismuth oxide nanoparticles as X‐ray shielding material
Authors: Rashidi Mehdi , Rezaei Aram , Bijari Salar , Jaymand Mehdi , Samadian Hadi , Arkan Elham , Zahabi Saleh Salehi , Hosseini Mehdi
Published: March 2021

The main focus of the current study was to fabricate fibrous nanocomposite based on polyacrylonitrile (PAN) fibers containing Bi2O3 NPs as the X‐ray shielding material. Bi2O3 NPs were synthesized based on the solid dispersion evaporation method and dispersed into PAN polymer solution with different weight concentrations. The electrospinning technique was used to fabricate nanocomposite. The morphology, surface functional group, wettability, elemental analysis, and X‐ray shielding efficacy of the fabricated nanocomposite were thoroughly evaluated. The dimeter of the fibrous nanocomposites containing 10, 20, and 30 wt% Bi2O3 NPs were 1.33 ± 0.08, 1.01 ± 0.11, and 1.69 ± 0.32 μm, respectively. EDX elemental analysis showed that NPs were uniformly distributed into/onto the fibers. The X‐ray shielding studies showed that the prepared nanocomposites effectively attenuate the intensity of the X‐ray. The entrance surface dose for the negative control was 24.10 ± 1.71 mSv and the application of the nanocomposites significantly reduced the entrance surface dose. The results showed NPs concentration‐dependent CT number shift as the indication of X‐ray protection and the highest value was obtained by 30 wt% NPs. The obtained results implied that the fabricated nanocomposites effectively attenuate the radiation and they could be applied as the X‐ray shielding materials.
Preparation and anti‐evaporation properties of organic–inorganic superabsorbent based on Tragacanth gum and clay
Authors: Zhao Junji , Qiu Xueyan , Liu Xiaomei , Ye Xie , Xiong Hongran , Liang Yan , Lei Ziqiang
Published: March 2021

In this study, the application of superabsorbent resin (SAP) in inhibiting the soil moisture evaporation (or slowing down the water outflow) was studied. The clay‐SAP composites were fabricated by grafting of poly (acrylic acid‐N‐hydroxymethyl acrylamide/clay) (GT‐g‐P [AA‐co‐NHA]/clay) on Tragacanth gum (GT), using solution polymerization. The structure, morphology and stability of the clay‐SAP composites were investigated by Fourier transform infrared, scanning electron microscope and TGA. The maximum swelling ratio of Attapulgite (3%)‐, Kaolin (3%)‐ and Montmorillonite (3%)‐SAP composite in deionized water reached 1180, 819 and 525 g/g respectively, and the maximum swelling ratio in tap water reached up to 206, 192 and 170 g/g respectively. Meanwhile, the maximum swelling ratio in 0.9% NaCl solution was 95, 82 and 62 g/g respectively. The water retention of clay‐SAP composites was also analyzed as a function of temperature. In addition, by simulating the desertification area, the effect of the APT (3%)‐SAP composite on the anti‐evaporation performance was studied. The obtained results revealed that the water retention of APT (3%)‐SAP composite was 36% at 45°C for 12 h. Under natural conditions, the evaporation rate of the anti‐evaporation material was inversely proportional to the amount of APT (3%)‐SAP composite added.
Characterization of the resistance to abrasive chemical agents of test specimens of thermoplastic elastomeric polyurethane composite materials produced by additive manufacturing
Authors: Paz Eva , Jiménez Mariano , Romero Luis , Espinosa María del Mar , Domínguez Manuel
Published: March 2021

Currently the development of additive manufacturing and the emerging of new materials allows to manufacturing process obtaining functional models with properties and geometries adapted to each particular case with low production times and costs. Specifically, 3D printing by fused deposition modeling (FDM) that operates with polymers, is one of the most widespread and popular techniques. Among the numerous materials available, the elastomeric polymers, whose base composition is polyurethane, are becoming increasingly important since allow to obtain flexible pieces with good mechanical and chemical resistance. The objective of this work is to study the effect of an abrasive fluid (commercial automotive petrol) on test specimens made of two different elastomeric filaments commonly used in 3D printing, thermoplastic polyurethane and thermoplastic elastomers. To do this, some of the main physical and mechanical properties – hardness, weigh variation and tensile and bending tests ‐ of these materials were analyzed after immersion of the samples in petrol for different periods of time. Specimens with different volume of material inside their structure were designed in order to determine the effect of the volume filling on the mechanical properties and the petrol effect.
Hybridized artificial neural network classifiers with a novel feature selection procedure based genetic algorithms and information complexity in credit scoring
Authors: Ilter Damla , Deniz Eylem , Kocadagli Ozan
Published: March 2021

The credit scoring is a statistical analysis performed by financial institutions to represent the creditworthiness of an individual or small and medium‐sized enterprise. A credit score is a numerical quantity that can be qualified by a rating label showing the potential risk. In order to determine which customers are likely to bring in the most revenue at the exact interest rate and credit limits, the lenders take into accounts these credit scores. In this context, the robust statistical models are inevitable to reduce the number of wrong decisions in the credit evaluation process. Although the machine learning approaches provide superior performance to conventional statistical methods, they are mostly criticized due to the selection of model structure, model complexity, tuning parameters, time consumption in the high‐dimensional and excessive nonlinear cases. For this reason, this study introduces an efficient model estimation and feature selection procedure for artificial neural network (ANN) classifiers in the context of credit scoring. Essentially, this procedure hybridizes training of ANNs with a novel feature selection approach based on genetic algorithms and information complexity criterion. In the application, the proposed procedure was performed on a couple of benchmark credit scoring datasets. According to analysis results, the proposed approach not only estimates robust models from ANNs in terms of model complexity, feature selection, and time consumption, but also outperforms the traditional training procedure for the classification accuracies, false positive, and false negative errors overtraining and test datasets.
The (In‐)Stability of the Ionic Liquids [(TMEDA)BH2][TFSI] and −[FSI] on the Li(001) Surface
Authors: Clarke‐Hannaford Jonathan , Breedon Michael , Rüther Thomas , Johansson Patrik , Spencer Michelle J. S.
Published: March 2021

Electrolytes that can enable the use of a Li metal anode at a vast 3860 mAh/g, in place of currently used graphite anodes (372 mAh/g), are required for the advancement of next‐generation rechargeable Li batteries. Both quaternary ammonium and boronium (trimethylamine)(dimethylethylamine)dihydroborate [NNBH2]+ cation‐based ionic liquids (ILs) show high electrochemical stability windows and thermal stability for use in Li batteries. Cyclization of the former cation shows improved electrolyte stability compared to the open‐chain counterpart. However, it is not known whether this is the case for the cyclic derivative of [NNBH2]+, N,N,N’,N’‐tetramethylethylenediamine)dihydroborate [(TMEDA)BH2]+. Here, the details of the initial stages of solid−electrolyte interphase (SEI) layer formation on a lithium metal surface, Li(001), for the [(TMEDA)BH2]+ based ILs are revealed using density functional theory (DFT) calculations and ab initio molecular dynamics (AIMD) simulations. These indicate that [(TMEDA)BH2]+ remains intact, displaying a similarly weak interaction with the Li metal surface as the open‐chain analogue. The chemical stability shown by the boronium cation indicates spontaneous and unwanted side reactions with the Li anode are unlikely to occur, which could help to facilitate long‐term cycling stability of the battery. Altogether, the findings suggest the [(TMEDA)BH2]+ ILs, like their [NNBH2]+ IL counterparts, are viable candidates for rechargeable Li metal batteries.
Characterizing resting‐state networks in Parkinson’s disease: A multi‐aspect functional connectivity study
Authors: Ghasemi Mahdieh , Foroutannia Ali , Babajani‐Feremi Abbas
Published: March 2021

Purpose

Resting‐state functional magnetic resonance imaging (Rs‐fMRI) can be used to investigate the alteration of resting‐state brain networks (RSNs) in patients with Parkinson's disease (PD) when compared with healthy controls (HCs). The aim of this study was to identify the differences between individual RSNs and reveal the most important discriminatory characteristic of RSNs between the HCs and PDs.

Methods

This study used Rs‐fMRI data of 23 patients with PD and 18 HCs. Group independent component analysis (ICA) was performed, and 23 components were extracted by spatially overlapping the components with a template RSN. The extracted components were used in the following three methods to compare RSNs of PD patients and HCs: (1) a subject‐specific score based on group RSNs and a dual‐regression approach (namely RSN scores); (2) voxel‐wise comparison of the RSNs in the PD patient and HC groups using a nonparametric permutation test; and (3) a hierarchical clustering analysis of RSNs in the PD patient and HC groups.

Results

The results of RSN scores showed a significant decrease in connectivity in seven ICs in patients with PD compared with HCs, and this decrease was particularly striking on the lateral and medial posterior occipital cortices. The results of hierarchical clustering of the RSNs revealed that the cluster of the default mode network breaks down into the three other clusters in PD patients.

Conclusion

We found various characteristics of the alteration of the RSNs in PD patients compared with HCs. Our results suggest that different characteristics of RSNs provide insights into the biological mechanism of PD.
Complications following REM sleep behavior disorder
Authors: Schaeffer Eva , Berg Daniela
Published: March 2021

REM sleep behavior disorder (RBD) is gaining increasing attention as important prodromal marker for the development of neurodegenerative disorders such as Parkinson's Disease. However, the clinical relevance of this disorder and its association with other prodromal markers is often underestimated in clinical routine. We here report a case of severe clinical complications following extensive nocturnal movements due to RBD, aggravated by occurrence of additional prodromal non‐motor symptoms. This case stresses the importance of recognizing RBD as a multisystem disease by all clinical disciplines.
Influence of the entrepreneur's capacity in business performance
Authors: Teruel‐Sánchez Ricardo , Briones‐Peñalver Antonio Juan , Bernal‐Conesa Juan Andrés , de Nieves‐Nieto Carmen
Published: March 2021

The article presents a theoretical model of the entrepreneur's capacities and their influence on business performance. Starting from the traditional theory of dynamic capacities, those related to entrepreneurship and/or that influence the entrepreneur's capacities are identified, determining factors such as training, experience and confidence. In addition, other factors such as the environmental and institutional environment have been taken into account as they affect the entrepreneurship. For this purpose, a study was carried out with the Smart PLS software in a sample of companies in the tourism sector in the Mar Menor Region (Spain). An essential factor in the development of entrepreneurship in the region is the sustainability of the coastal lagoon. Some considerations are obtained from the study of the factors that determine the model of capacities, in which the confidence of the entrepreneur and the environmental sustainability, exert a positive and significant influence in the business performance. Furthermore, among the mentioned capacities of the entrepreneurial influence, experience and trust are the ones that most influence the success of the tourism business.
Growth and differentiation factor 15 and NF‐κB expression in benign prostatic biopsies and risk of subsequent prostate cancer detection
Authors: Rybicki Benjamin A. , Sadasivan Sudha M. , Chen Yalei , Kravtsov Oleksandr , Palangmonthip Watchareepohn , Arora Kanika , Gupta Nilesh S. , Williamson Sean , Bobbitt Kevin , Chitale Dhananjay A. , Tang Deliang , Rundle Andrew G. , Iczkowski Kenneth A.
Published: March 2021

Growth and differentiation factor 15 (GDF‐15), also known as macrophage inhibitory cytokine 1 (MIC‐1), may act as both a tumor suppressor and promotor and, by regulating NF‐κB and macrophage signaling, promote early prostate carcinogenesis. To determine whether expression of these two inflammation‐related proteins affect prostate cancer susceptibility, dual immunostaining of benign prostate biopsies for GDF‐15 and NF‐κB was done in a study of 503 case‐control pairs matched on date, age, and race, nested within a historical cohort of 10,478 men. GDF‐15 and NF‐κB expression levels were positively correlated (r = 0.39; p < 0.0001), and both were significantly lower in African American (AA) compared with White men. In adjusted models that included both markers, the odds ratio (OR) for NF‐κB expression was statistically significant, OR =0.87; p = 0.03; 95% confidence interval (CI) =0.77–0.99, while GDF‐15 expression was associated with a nominally increased risk, OR =1.06; p = 0.27; 95% CI =0.96–1.17. When modeling expression levels by quartiles, the highest quartile of NF‐κB expression was associated with almost a fifty percent reduction in prostate cancer risk (OR =0.51; p = 0.03; 95% CI =0.29–0.92). In stratified models, NF‐κB had the strongest negative association with prostate cancer in non‐aggressive cases (p = 0.03), older men (p = 0.03), and in case‐control pairs with longer follow‐up (p = 0.02). Risk associated with GDF‐15 expression was best fit using nonlinear regression modeling where both first (p = 0.02) and second (p = 0.03) order GDF‐15 risk terms were associated with significantly increased risk. This modeling approach also revealed significantly increased risk associated with GDF‐15 expression for subsamples defined by AA race, aggressive disease, younger age, and in case‐control pairs with longer follow‐up. Therefore, although positively correlated in benign prostatic biopsies, NF‐κB and GDF‐15 expression appear to exert opposite effects on risk of prostate tumor development.
Influence of Confinement on Barriers for Alkoxide Formation in Acidic Zeolites
Authors: Fečík Michal , Plessow Philipp N. , Studt Felix
Published: March 2021

The influence of the confinement imposed by eight different zeotypes on the formation of the alkoxides of 13 primary alcohols is studied using dispersion corrected density functional theory calculations with the PBE‐D3 functional. Adsorption energies of the alcohols are computed along with barriers for formation of the alkoxides, which is the first step of the stepwise dehydration mechanism. We find that variations in the adsorption and transition state energies are largely governed by van der Waals interactions between substrates and the zeolite framework. Trends between different reactants, on the other hand, are largely due to the size of the molecules, which can be described quantitatively by the number of atoms constituting them. We find that the stabilization of adsorbates is largest for frameworks that are neither too small, leading to repulsive interaction, nor too spacious leading only to weak interaction.
Influence diagnostics in the inverse Gaussian ridge regression model: Applications in chemometrics
Authors: Amin Muhammad , Faisal Muhammad , Akram Muhammad Nauman
Published: March 2021

The influential observation affects the regression model inferences. Literature has shown that the problems of multicollinearity and influential observations can jointly exist in a model. The ridge regression estimator has been developed to handle the challenge of multicollinearity. The detection of influential observations with multicollinearity and its impact on the ridge estimates is necessary for better decision making. In this article, we proposed some influence diagnostics for the inverse Gaussian ridge regression model (IGRRM). The proposed diagnostics are evaluated with the help of a simulation study and two chemometric‐related data sets. We found that the covariance ratio (CVR) method is better than other methods for the detection of influential observations under smaller dispersion. While for larger dispersion, all the IGRRM diagnostics perform equally well for the identification of influential observations.
Combinations of self‐reported rhinitis, conjunctivitis, and asthma predicts IgE sensitization in more than 25,000 Danes
Authors: Mikkelsen Susan , Dinh Khoa Manh , Boldsen Jens Kjærgaard , Pedersen Ole Birger , Holst Gitte Juel , Petersen Mikkel Steen , Kaspersen Kathrine Agergård , Møller Bjarne Kuno , Nielsen Kaspar Rene , Paarup Helene Martina , Rostgaard Klaus , Hjalgrim Henrik , Sørensen Erik , Handgaard Linda Jenny , Hansen Thomas Folkmann , Banasik Karina , Burgdorf Kristoffer Sølvsten , Ullum Henrik , Sigsgaard Torben , Erikstrup Christian
Published: March 2021

Background

Allergic rhinitis (AR), allergic conjunctivitis (AC), and asthma composing multiple phenotypes and improved understanding of these phenotypes and their respective risk factors are needed.

Objectives

The objective of this study was to define the prevalence of AR, AC, and asthma and their association with allergen‐specific immunoglobulin E (sIgE) sensitization in a large cohort of blood donors and identify risk factors.

Methods

From the nationwide population‐based Danish Blood Donor Study, 52,976 participants completed an electronic questionnaire including AR, AC, asthma, allergic predisposition, and childhood residence. Of these, 25,257 were additionally tested for sIgE to inhalation allergens (Phadiatop).

Results

The prevalence of sIgE sensitization, AR, AC, and asthma was 30%, 19%, 15%, and 9%, respectively. The youngest birth cohorts had the highest prevalence of sIgE sensitization and symptoms of asthma, AR, and AC, and for asthma, they apparently experienced symptoms at an earlier age. The sIgE sensitization was positively associated with male sex. The sIgE seroprevalence was higher in participants with both AR and AC (ARC) than in participants with either AR or AC. Allergic predisposition and sIgE sensitization increased the risk of the diseases, while farm upbringing was associated with reduced prevalence of ARC, however, only in sIgE sensitized participants.

Conclusion

Birth year, childhood residence, sIgE sensitization, and allergic predisposition were associated with asthma, AR, and AC prevalence. Individuals with self‐reported ARC represent a primarily sIgE‐positive phenotype, while those with either AR or AC represent more diverse phenotypes.
Application of Nanomaterials in Aqueous Redox Flow Batteries
Authors: Long Yong , Ding Mei , Jia Chuankun
Published: March 2021

It is challenging to directly integrate renewable energies into the grid due to the inherent random and intermittent nature. Electrochemical energy storage techniques which can balance the intermittent production and smooth consumption are effective routes to fulfill the highly penetration of renewable energy sources. Among them, redox flow batteries (RFBs) are regarded as promising large‐scale energy storage and conversion devices attributed to the flexible design, long lifetime and high safety. Electrode and ion exchange membrane materials have crucial influences on cell performance of RFBs in terms of efficiency, rate performance, output power density and cyclability. Application of nanomaterials to obtain advanced electrode and membrane materials has prompt improvements of aqueous RFBs. This minireview includes the design, synthesis, and application of nanomaterials in preparation of both electrodes and ion exchange membranes for aqueous RFBs. Furthermore, current challenges and future prospects of application of nanomaterials in aqueous RFBs are outlined. We expect to provide a guide for the fabrication of advanced electrodes and membranes incorporation of nanomaterials towards high performance and low cost RFBs in future.
Targeting Guanine Quadruplexes with Luminescent Platinum(II) Complexes Bearing a Pendant Nucleobase
Authors: Guha Rweetuparna , Defayay Denise , Hepp Alexander , Müller Jens
Published: March 2021

Guanine quadruplexes are tetra‐stranded nucleic acid structures currently raising significant interest in the context of the development of potential anticancer therapeutics with a new mode of action. They are composed of planar guanine tetrads, allowing a high‐affinity targeting by using molecules with a large π surface. However, the extreme topological versatility of guanine quadruplexes impedes a straightforward targeting of particular preselected guanine‐rich sequences. We report here a systematic study of a family of luminescent platinum(II) complexes devised to overcome this challenge. By attaching a pendant adenine or thymine nucleobase as a substituent to one of the ligands at the platinum center, an additional recognition site is introduced with the aim of modulating the affinity of the metal complex to different DNA sequences. By comparing different attached nucleobases and a series of linker moieties, first conclusions are drawn with respect to the scope of this approach.