bluuebunny/crossref_metadata_2025_split huggingface dataset:
Temperature‐Insensitive Efficient Inorganic Perovskite Photovoltaics by Bulk Heterojunctions
Authors: Wang Feng , Qiu Zhiwen , Chen Yihua , Zhang Yu , Huang Zijian , Li Nengxu , Niu Xiuxiu , Zai Huachao , Guo Zhenyu , Liu Huifen , Zhou Huanping 
Published: January 2022

AbstractInorganic perovskite solar cells (IPSCs) emerge as an ideal candidate for applications beyond terrestrial implementation due to their robustness. However, underlying mechanisms regarding their photovoltaic process at different temperatures remain unclear. Based on a stable absorber of CsPbI2.85(BrCl)0.15, considerable variation of corresponding device performance is revealed over temperature and further demonstrates a simple approach to an effective reduction of such variation. Interestingly, this absorber is found to be excitonic with poor carrier transport even at an ambient temperature of 285 K and below. With a novel device configuration of a PTB7‐th/perovskite bulk heterojunction, exciton dissociation and carrier extraction is facilitated. The resultant solar cell attains a best power conversion efficiency (PCE) of 17.2% with the fill factor of ≈84%, which represents the highest‐efficiency γ‐phase IPSCs reported to date. Importantly, this device is less sensitive to operation temperature, wherein the PCE variation over the temperature range from 210 to 360 K is 60% suppressed compared with the reference. The approach is effectively extended to other IPSCs with different photoactive phases, which may shed light on realizing highly efficient IPSCs for specific scenarios such as polar regions, near‐space, and exoplanet exploration.
Foaming up a milk empire? Projected effects of a dairy merger
Authors: Badruddoza Syed , McCluskey Jill J. , Carlson Andrea C. 
Published: January 2022

AbstractThe recent bankruptcy of Dean Foods (DF) and subsequent acquisition of a major share by Dairy Farmers of America (DFA) raised an antitrust complaint which led to DF divesting some assets. The current article empirically analyzes the economic impact of a hypothetical merger between DF and DFA. We use retail scanner data of 2008–2018 under a random‐coefficient discrete choice framework. Assuming a constant marginal cost, we find that the merger may slightly increase retail prices of cow milk products‐‐especially organic ones‐‐across the market and the hypothetical market power of DFA in the long run.
TLR8/TLR7 dysregulation due to a novel TLR8 mutation causes severe autoimmune hemolytic anemia and autoinflammation in identical twins
Authors: Fejtkova Martina , Sukova Martina , Hlozkova Katerina , Skvarova Kramarzova Karolina , Rackova Marketa , Jakubec David , Bakardjieva Marina , Bloomfield Marketa , Klocperk Adam , Parackova Zuzana , Sediva Anna , Aluri Jahnavi , Novakova Michaela , Kalina Tomas , Fronkova Eva , Hrusak Ondrej , Malcova Hana , Sedlacek Petr , Liba Zuzana , Kudr Martin , Stary Jan , Cooper Megan A. , Svaton Michael , Kanderova Veronika 
Published: January 2022

AbstractOur study presents a novel germline c.1715G>T (p.G572V) mutation in the gene encoding Toll‐like receptor 8 (TLR8) causing an autoimmune and autoinflammatory disorder in a family with monozygotic male twins, who suffer from severe autoimmune hemolytic anemia worsening with infections, and autoinflammation presenting as fevers, enteritis, arthritis, and CNS vasculitis. The pathogenicity of the mutation was confirmed by in vitro assays on transfected cell lines and primary cells. The p.G572V mutation causes impaired stability of the TLR8 protein, cross‐reactivity to TLR7 ligands and reduced ability of TLR8 to attenuate TLR7 signaling. This imbalance toward TLR7‐dependent signaling leads to increased pro‐inflammatory responses, such as nuclear factor‐κB (NF‐κB) activation and production of pro‐inflammatory cytokines IL‐1β, IL‐6, and TNFα. This unique TLR8 mutation with partial TLR8 protein loss and hyperinflammatory phenotype mediated by TLR7 ligands represents a novel inborn error of immunity with childhood‐onset and a good response to TLR7 inhibition.
Effect of chitosan coating on polypropylene fibers on the deposition of copper ions
Authors: Zefirov Vadim V. , Sizov Victor E. , Dvoryak Stanislav V. , Gulin Alexander A. , Sergeyev Vladimir G. , Gallyamov Marat O. 
Published: January 2022

AbstractComposites based on chitosan coatings and metal ions are attracting great attention due to their antibacterial properties and biocompatibility. It is known that the presence of chitosan helps to stabilize the growth of metal films or individual nanoparticles during their deposition. In this work chitosan coating obtained from an aqueous carbonic acid solution is applied to fibers of a polypropylene nonwoven membrane. Aqueous carbonic acid solution is a clean and cheap solvent for chitosan that can effectively impregnate a porous polypropylene matrix. Before chitosan deposition, the fibers were pretreated in the presence of peroxycarbonic acid (i.e., in an aqueous hydrogen peroxide solution saturated with pressurized carbon dioxide). Copper ions were then deposited on the chitosan‐coated fibers. It was shown that the presence of a chitosan interlayer can significantly improve adhesion and reduce the aggregation of growing particles, which results in the decoration of the fibers with uniform thin copper‐containing films. The proposed method for creating composite materials can serve as a new approach to antibacterial polymer‐inorganic composites manufacturing.
Self‐roughened superhydrophobic polydopamine coating with excellent self‐cleaning, anti‐corrosion, and UV shielding performances
Authors: Yang Jianfei , Wang Ruoyun , Zhang Xinwen , Long Fei , Zhou Tong , Liu Lei 
Published: January 2022

AbstractVarious strategies have been developed to fabricate superhydrophobic surfaces with the guidance of adding rough micro‐nano structure and decreasing surface energy. However, it is still a challenge to prepare a superhydrophobic coating with multifunction, eco‐friendliness, and broad applicability to substrates. The mussel‐inspired polydopamine (PDA) possessing superior material‐independent adhesion was considered as the promising candidate material. Herein, a hierarchical superhydrophobic PDA coating was fabricated on Cu substrate via a facile self‐assembly method. Thanks to PDA's self‐roughening and self‐adhesive effects, the coating obtains sufficient surface roughness and good interface adhesion. The superhydrophobic coating exhibits excellent self‐cleaning performance and enhanced corrosion resistance based on the surface wettability. Moreover, it possesses the additional functions of UV resistance and self‐healing, inheriting from the PDA coating. PDA and the surface modifier are nontoxic, biodegradable, and eco‐friendly. Our findings indicate that PDA can be used as an independent structural coating with multiple functions of corrosion protection, UV resistance, and superhydrophobic properties.
Novel proteinase inhibitor from the hemolymph of soybean pest Anticarsia gemmatalis (lepidóptera: Noctuidae): Structural modeling and enzymatic kinetic
Authors: Rios‐Díez Juan D. , Meriño‐Cabrera Yaremis , Silva‐Junior Neilier Rodrigues , de Almeida Barros Rafael , Aguilar de Oliveira João , Josué de Oliveira Ramos Humberto , Goreti de Almeida Oliveira Maria 
Published: January 2022

AbstractNew approaches are needed to reduce risks to the environment and natural enemies and to avoid or delay the onset of insecticide resistance. The use of insecticides based on proteinase inhibitors of hemolymph is an alternative for the control of Lepidoptera pests primarily by having low toxicity and short persistence in the environment. Thus, in this study, we describe the purification process and identification of protease inhibitors from hemolymph Anticarsia gemmatalis and their activities against trypsin enzymes. Furthermore, the three‐dimensional (3D) structure of the inhibitor and binding mode to trypsin enzymes was determined, and the stability of the inhibitory activity in several pHs and temperature values was evaluated. The inhibitor was characterized as a serpin family inhibitor and named A. gemmatalis hemolymph serpin inhibitor (AHSI), with an approximate mass of 38 ± 2 kDa, highly stable to temperature and pH variations, and with inhibitory capacity on bovine trypsin and gut trypsin of A. gemmatalis demonstrated by calculated Ki values and affinity energy through molecular docking, being a reversible competitive inhibitor that binds to the active site of trypsin‐like enzymes. We conclude that the AHSI inhibitor identified from the hemolymph of the soybean pest A. gemmatalis preserves the original structure of the serpin family with a good overall stereochemical quality confirmed from molecular modeling. The docking analysis showed that the reactive site of the inhibitor is in contact with the catalytic cavity of the trypsin with high‐affinity energy.
Time‐resolved fluorescence immunoassay (TRFIA) for the simultaneous detection of hs‐CRP and lipoprotein(a) in serum
Authors: Ma Hongyan , Mao Qian , Zhu Yanbin , Cong Chunli , Zheng Shiyu , Zhang Qi , Chen Cuicui , Li Laiqing 
Published: January 2022

AbstractElevated serum high‐sensitivity C‐reactive protein (hs‐CRP) and lipoprotein(a) (Lp(a)) levels are associated with the development of native coronary atherosclerosis. We aimed to establish a new method for the simultaneous detection of hs‐CRP and Lp(a) to predict the development of atherosclerosis. A one‐step time‐resolved fluorescence immunoassay (TRFIA) with europium(III) (Eu3+) or samarium(III) (Sm3+) labels was established, and the performance of this TRFIA (in terms of sensitivity, specificity, accuracy, and cutoff values) was evaluated using clinical serum samples and compared with those of registered kits. The sensitivity was 0.052 μg/ml for hs‐CRP and 0.64 μg/ml for Lp(a). The intra‐assay and inter‐assay cross‐reactivities (CVs) were very low, ranging from 2.05% to 4.67% for hs‐CRP and from 2.42% to 6.43% for Lp(a). The CVs were very low (<0.34% and <2.65%, respectively) with five interferents. Additionally, there was a high Pearson coefficient between the present TRFIA method and the registered kits (R2 = 0.9967 and 0.9906, respectively). These data indicate that this study developed a TRFIA method that can be used for the quantitative detection of hs‐CRP and Lp(a) in serum with high sensitivity, specificity, and accuracy. This TRFIA provides a new method for predicting the development of atherosclerosis.
Befestigung von Bauwerken in Bäumen mit Baumankern und doppelter Umreifung
Authors: Zeller Martin , Münch Ingo 
Published: January 2022

AbstractKletterwälder, Baumplattformen und Wohneinheiten über der Oberfläche in Kombination mit Bäumen sprechen menschliche Emotionen an, welche man mit Kindheitstraum, Naturerlebnis, Reiz des Außergewöhnlichen oder einem Nervenkitzel assoziieren kann. Aus Sicht der Tragwerksplanung muss die Erstellung solcher Bauwerke allerdings sicher und unter Beachtung biologischer Aspekte ausgeführt werden. Denn der Stamm eines Baums ist ein Teil seines Organismus und wird für den Metabolismus benötigt. Durch die Anlagerung von Jahresringen unterliegt er weiterhin einem jährlichen Dickenwachstum. Der vorliegende Aufsatz beschreibt anhand eines konkreten Projekts, wie es durch spezielle Baumanker und eine doppelte Umreifung gelingt, eine zentralsymmetrische Konstruktion mit ca. 20 m2 öffentlicher Nutzfläche dauerhaft und artgerecht an einem einzelnen Baum zu befestigen. Im vorliegenden Fall überschreitet die kalkulierte Vertikallast aus dem Bauwerk (Eigengewicht, Nutzlast, Schnee) das Eigengewicht des Tragbaums, was auf die Leistungsfähigkeit der Konstruktion hinweist. Durch die Erhaltung der Baumvitalität nimmt die Tragfähigkeit der Verankerung mit jeder Wachstumsperiode zu, was hier ebenfalls thematisiert wird. Weitere Projekte mit ähnlicher Befestigungstechnik zeigen, dass unterschiedliche Baumarten die vorgeschlagene Verankerung gut vertragen und sich daraus technische sowie wirtschaftliche Vorteile ableiten.
Teaching motor responses to a child with trisomy 18: A preliminary study
Authors: Kusano Maria Elisa , Schmidt Andréia 
Published: January 2022

AbstractTrisomy 18 (T18) is a congenital genetic disease that causes multiple impairments, mainly in motor functioning. Few studies have investigated behavioral interventions with individuals with T18. In the current study, we tested an intervention to teach basic motor responses to a 30‐month‐old boy with T18. He had severe hypotonia and emitted only a few uncoordinated movements of his head and arms. We taught him a grasping response using a manual guidance procedure that included repeating the movement with full manual guidance 30 consecutive times and then recording independent responses. We then taught turning the page of a book, pressing a button on a toy, and hammering responses, sequentially, using an adapted version of the same procedure within a multiple‐probe design. The participant learned each target response at a progressively faster rate. We discuss the potential use of this procedure for children with T18 and other severe motor restrictions.
Promotion of mitochondrial biogenesis by synthetic 1,2‐ or 1,3‐digallates through activation of an energy sensing network
Authors: Lee Taegum , Kim Mi Kyoung , Chong Youhoon 
Published: January 2022

AbstractBased on the observations suggesting that a digallate functionality might serve as a novel scaffold for inducers of mitochondrial biogenesis, we prepared a series of digallates and evaluated their activity in an in vitro model widely used in PD research (SH‐SY5Y cells). Flow cytometry‐based approach revealed stimulation of mitochondrial biogenesis by the gallates, particularly by those with the gallate substituted at the 1,2‐ or 1,3‐ positions. The relative mitochondrial mass calculated after taking cell sizes into account also confirmed the 1,2‐ or 1,3‐digallates as stimulators of mitochondrial biogenesis. Finally, energy sensing network including AMPK, SIRT1, and PGC‐1α was shown to be affected by 1,2‐ or 1,3‐digallates to stimulate mitochondrial biogenesis. Taken together, this study presents a 1,2‐ or 1,3‐ digallate as a novel scaffold for stimulators of mitochondrial biogenesis. As inducers of mitochondrial biogenesis remain scarce, the current findings provide a valuable tool in the battle against neurodegenerative diseases.
Extended kinetic lattice grand canonical Monte Carlo simulation method for transport of multicomponent ion mixtures through a model nanopore system
Authors: Choi Inhyeok , Kim Namho , Song Yeonho , Schatz George C. , Hwang Hyonseok 
Published: January 2022

AbstractAn extended version of the original kinetic lattice grand canonical Monte Carlo simulation method combined with mean field theory (KLGCMC/MF) (J. Chem. Phys. 2007, 127, 024706) is presented for the study of transport of multicomponent ion mixtures through a model nanopore. Comparison of the extended KLGCMC/MF (eKLGCMC/MF) simulation results with Poisson–Nernst–Planck (PNP) calculations is also made to confirm the validity of the extended simulation approach. Unlike the original version of KLGCMC/MF simulation method that treats only a binary ionic solution with one cation and one anion species, this extended version can deal with a system that includes ternary ion mixtures. A diffusion probability algorithm is also added to the extended version of the simulation method to describe the inhomogeneous diffusivity of ions that is often observed in the ion permeation through nanopores. Both Legendre and Chebyshev polynomials of the second kind were tested as a basis set for the basis set expansion (BSE) method with which to calculate the reaction field energy in the eKLGCMC/MF simulation. It turned out that the Legendre polynomials perform better than the Chebyshev polynomials, and as a result, the Legendre polynomials were implemented in the current version of eKLGCMC/MF simulation algorithm. The presented eKLGCMC/MF simulation method with new features finds its potential applications in nanopore systems where the correlation between ion species with the same sign of charges plays a key role such as oscillating ion currents or anomalous mole fraction effects.
Super‐resolution fluorescence microscopy‐based single‐molecule spectroscopy
Authors: Jeong Dokyung , Kim Doory 
Published: January 2022

AbstractThe rise of super‐resolution fluorescence microscopy (SRM) has revolutionized our understanding of the nanoscale world. SRM has recently been correlated with spectroscopy techniques to obtain rich spectral information of individual molecules in addition to localization information. This technique ultimately provides multidimensional and functional information of single molecules, which is generally masked in the ensemble averages of previous bulk measurements and creates exciting new opportunities and challenges for single‐molecule spectroscopic imaging. We review the recent developments in single‐molecule spectroscopic imaging technique and how the challenges are addressed to effectively obtain single‐molecule spectroscopic information. Particular attention has been devoted to the applications of this method, including single‐molecule chemical kinetic studies and single‐molecule polarity sensing. Finally, we address the possible future enhancements and applications. Thus, we demonstrate how a single‐molecule spectroscopic imaging technique adds new dimensions of information to the SRM, providing new opportunities in a wide range of research fields.
The distribution and pathogenic risk of non‐9‐valent vaccine covered HPV subtypes in cervical lesions
Authors: Ma Mingjun , Zhu Jingfen , Yang Yongbin , Wang Xiaoyun , Jin Yubiao , Zhang Jiawen , Wu Sufang 
Published: January 2022

AbstractHuman papillomavirus (HPV) infection is the main cause of female precancerous lesions and cervical cancer. The development and application of HPV prophylactic vaccines have been recognized as a major effective intervention for the control of cervical lesions. However, the infection rate and clinical characters of non‐9‐valent vaccine covered HPV subtypes are still worth studying. In this retrospective study, we included patients diagnosed and treated in the Department of Gynecology of Shanghai General Hospital between January 2017 and February 2021. The clinical features of non‐9‐valent vaccine covered HPV subtypes were explored in 2179 patients who have normal results, 338 patients with cervical intraepithelial neoplasia 1 (CIN1), and 153 patients with ≥CIN2. Univariate analysis showed that compared to the normal cervix group, age ≥50, pregnancy ≥5, delivery ≥3, menopause, no condom use, and cervical transformation zone type III were risk factors for CIN1 or ≥CIN2 (p < 0.05). Thirty‐one percent of CIN1 and 26% of ≥CIN2 were attributed to HPV51, HPV53, HPV56, and HPV68. Multivariate analysis revealed that HPV53, HPV81, age, menopause, cervical transformation area and involved glands were independent risk factors for ≥CIN2 group compared to the CIN1 group (p < 0.05). Additionally, among the 14 non‐9‐valent vaccine covered HPV subtypes, the infection rates of HPV53, 56, 51, and 68 were higher in this study. In conclusion, our study demonstrated the distribution and pathogenic risk of non‐9‐valent vaccine covered HPV subtypes in cervical lesions. These findings might supply a foundation for optimizing cervical cancer prevention in the post‐vaccine era.
Tunable Excimer Circularly Polarized Luminescence in Isohexide Derivatives from Renewable Resources
Authors: Zullo Valerio , Iuliano Anna , Pescitelli Gennaro , Zinna Francesco 
Published: January 2022

AbstractOrganic compounds showing circularly polarized luminescence (CPL) are at the forefront of novel applications and technologies. Here we show the synthesis and chiroptical properties of pyrene and perylene derivatives of inexpensive chiral scaffolds: isomannide and isosorbide. Low‐intensity ECD spectra were obtained, suggesting the absence of chromophore interaction in the ground state, except in the case of isomannide bis‐perylenecarboxylate, whose ECD spectrum showed a positive exciton couplet. All isomannide derivatives, with the only exception of the one containing a pyrenecarboxylate and a perylenecarboxylate, exhibited excimer CPL spectra, whereas isosorbide derivatives did not show any CPL. Isomannide derivatives bearing two pyrenecarboxylate or two pyrenylacetate groups showed positive CPL emission with dissymmetry factors up to 10−2, which depends on the conformational freedom of the appended units. The CPL sign, Stokes shift and order of magnitude of dissymmetry factor were reproduced by excited‐state calculations on a representative compound. Interestingly, the mixed derivative containing pyrenic units with different spacing from the isomannide scaffold showed an oppositely signed excimer band with respect to the homo‐substituted derivatives.
Lanthanide Luminescent Nanocomposite for Non‐Invasive Temperature Monitoring in Vivo
Authors: Kong Na , Hu Qian , Wu Yukai , Zhu Xingjun 
Published: January 2022

AbstractTemperature monitoring in vivo plays a vital role in the investigation of biological processes of organisms and the improvement of disease theranostic methods. The development of lanthanide luminescent nanocomposite‐derived temperature probes in vivo allows accurate and reliable interrogation of biological thermodynamic processes due to their superior photostability, high sensitivity, and non‐invasive sensing fashion. This concept presented an overview of the recent development of lanthanide luminescent nanocomposite which are suitable for in vivo temperature monitoring, including the thermometric principles, key features, materials designs as well as their potential biomedical applications for non‐invasive temperature detection in the living body. The perspectives of these lanthanide luminescent nanocomposite thermometers for the optimization of temperature monitoring performance and potential future development are also discussed.
A Machine Learning Model to Classify Dynamic Processes in Liquid Water
Authors: Huang Jie , Huang Gang , Li Shiben 
Published: January 2022

AbstractThe front cover artwork is provided by the groups of Prof. Shiben Li (Wenzhou University, P.R. China) as well as Dr. Gang Huang (Institute of Theoretical Physics, Chinese Academy of Sciences, P.R. China). The image shows that characteristics of dynamic processes of water molecules in liquid water can be recognized and classified by a machine learning‐based model if a graph representation is used to describe the hydrogen bond network. Read the full text of the Article at 10.1002/cphc.202100599.
Deciphering the Role of Noncovalent Interactions in the Conformations of Dibenzo‐1,5‐dichalcogenocines
Authors: Weiss Robin , Cornaton Yann , Khartabil Hassan , Groslambert Loïc , Hénon Eric , Pale Patrick , Djukic Jean‐Pierre , Mamane Victor 
Published: January 2022

AbstractThis work reports a combined experimental and theoretical study on the new dibenzo‐1,5‐ditellurocine2‐Tein order to get an overview on the parameters controlling conformational change and to explain the differences with sulfur and selenium analogues. The preference of the boat conformer over the chair one is revealed by DFT calculations. For2‐Te, a ΔG value of about 3 kJ/mol was calculated, close to the value measured by NMR (5 kJ/mol). However, DFT calculations with implicit solvation effects could not clearly establish the presence of an intramolecular Te…HC noncovalent interaction (NCI), as observed in the solid state. The Independent Gradient Model (IGM) methodology discloses an existent but probably not sufficiently discriminating Te…HC NCI. It also confirms that van der Waals interactions between phenyl rings is a source of stabilization of the boat conformer. Furthermore, electrostatic potential analysis suggests that chalcogen bonds between Te σ‐holes and solvent might play an important role.