bluuebunny/crossref_metadata_2025_split huggingface dataset:
DRPCTS: A digital computation theory framework system for rock property parameters using micro‐CT images
Authors: Zhao Zhi , Zhou Xiao‐Ping 
Published: June 2021

AbstractRock properties evaluations play decisive roles in various geotechnical engineering programs. This work aims at establishing a digital rock parameters computation theory framework system (DRPCTS) to rapidly and accurately obtain the common pore‐scale, hydraulic, and thermophysical variables by micro‐CT images. The proposed package contains the codes for the pore‐scale, hydraulic, and thermophysical variables expressions defined by the digital analysis techniques. Some experimental rock properties datasets are given to validate the accuracy of DRPCTS. The DRPCTS package provides excellent tools to rapidly obtain the common rock properties parameters only using some micro‐CT datasets as the input parameters with simple implementations.
Chlorination converting one efficient polymeric donor to an effective electron acceptor in organic solar cells
Authors: Gao Xiang , Zhan Tao , Zhang Xiaolu , Dong Jun , Bao Junjie , Wen Jing , Cai Ping , Liu Zhitian 
Published: June 2021

AbstractChlorination converts an efficient isoindigo (IID)‐based electron donor material to an effective electron acceptor material, which could pair with different donor materials. The polymer PAZ could work as the donor and achieve moderate power conversion efficiency of 3.56%, but organic solar cells based on the blend of PC71BM and the chlorinated analogue PAZ‐Cl fail. On the contrary, only PAZ‐Cl could be used as the acceptor material matching with typical donor polymers, such as PTB7‐Th, J52 and J52‐2Cl. Simulation based on density functional theory suggests that the main reason for this transform might be attributed to the change in the electrostatic potential of the polymers. This research paves a new way to design novel electron acceptors for organic solar cells.
Fault classification for high‐dimensional data streams: A directional diagnostic framework based on multiple hypothesis testing
Authors: Xiang Dongdong , Li Wendong , Tsung Fugee , Pu Xiaolong , Kang Yicheng 
Published: June 2021

AbstractIn various modern statistical process control applications that involve high‐dimensional data streams (HDDS), accurate fault diagnosis of out‐of‐control (OC) streams is becoming crucial. The existing diagnostic approaches either focus on moderate‐dimensional processes or are unable to determine the shift direction accurately, especially when the signal‐to‐noise ratio is low. In this paper, we conduct a bold trial and consider the fault classification problem of the mean vector of HDDS where determining the shift direction of the OC streams is important to perform customized repairs. To this end, under the basic assumptions that the in‐control data streams are normal with mean 0 and variance 1, and that the high‐dimensional observations after the alarm are solely OC, the problem is formulated into a three‐classification multiple testing framework, and an efficient data‐driven diagnostic procedure is developed to minimize the expected number of false positives and to control the missed discovery rate at given level. The procedure is statistically optimal and computationally efficient, and improves the diagnostic effectiveness by considering directional information, which provides insights to guide further decisions. Both theoretical and numerical results reveal the superiority of the new method.
We may not know much about the deep sea, but do we care about mining it?
Authors: Kaikkonen Laura , van Putten Ingrid 
Published: June 2021

AbstractThe way we value the environment affects how we treat it. While public awareness of human impacts on the ocean is increasing, industrial activities in the deep sea are accelerating rapidly and out of sight.The underlying values we hold for the environment were increasingly recognised as an important factor in environmental decision‐making, and it was thus important to evaluate public values towards deep‐sea environments.Here, we explored people's care for the deep sea and related this to the perceived risks of seafloor mining by comparing the deep sea to three other remote environments: Antarctica, remote terrestrial environments and the Moon.We conducted an online survey to investigate symbolic values, which we define as the emotions, moods and meanings an environment evokes, as an element affecting people's care for the environment. In addition, we investigated the respondent's knowledge, worldviews and the perceived environmental and societal risk of mining in these four environments.We found that symbolic values shape people's environmental care and that the overall symbolic value attributed to each of the environments differs.People perceived it likely that mining will take place in the deep sea, and the majority of respondents (81%) stated to care a lot or very much about human activities harming the deep sea.In comparison to the other remote environments, in a general sense people cared less about the deep sea, and their self‐assessed knowledge of the deep sea was lower.These results suggest that it was fundamental to account for the underlying values and emotions towards the environment when evaluating the risks of human activities in remote settings.Our results further highlighted the need to improve public understanding and connection with the deep sea and its role within wider society to engender deep‐sea stewardship.A freePlain Language Summarycan be found within the Supporting Information of this article.
Natural rubber and copper alumina nanocomposite‐based flexible elastomer‐inorganic hybrid systems
Authors: Parvathi K. , Al‐Maghrabi M. A. , Subburaj M. , T. Ramesan M. 
Published: June 2021

AbstractThis work investigates the effect of different loading of copper alumina nanoparticles (Cu‐Al2O3) on the processing characteristics, crystalline, morphological, mechanical, and thermal properties of natural rubber (NR). The effective reinforcement of Cu‐Al2O3 nanoparticles into NR was carried out using a simple and efficient two roll mill mixing technique and the structural changes were systematically analyzed by Fourier transform infrared (FTIR), X‐ray diffraction (XRD), scanning electron microscope (SEM), high‐resolution transmission electron microscope (HR‐TEM), differential scanning calorimetry, and thermogravimetric analysis. The FTIR and XRD of NR/Cu‐Al2O3 showed the characteristic absorption bands and the crystalline peaks of Cu‐Al2O3 in the prepared composites. SEM and HR‐TEM showed the uniform distribution of nano Cu‐Al2O3 in the NR matrix. The processing time of the nanocomposites was significantly decreased with the addition of metal oxide nanoparticles, which indicated the reduction in the cost of the fabrication of elastomer product using Cu‐Al2O3 nanoparticles. Mechanical properties such as modulus, tensile strength, hardness, heat build‐up, glass transition temperature, tear properties, abrasion, and thermal stability were greatly enhanced by the reinforcement of Cu‐Al2O3 into the NR matrix. The swelling behavior of composite with respect to different loading of nano‐filler was also investigated in various aromatic solvents. The addition of nanoparticles reduces the solvent uptake of the composite and the maximum solvent resistance was noted for the composite with 5 phr loading.
slim shady is a novel allele of PHYTOCHROME B present in the T‐DNA line SALK_015201
Authors: Dash Linkan , McEwan Robert E. , Montes Christian , Mejia Ludvin , Walley Justin W. , Dilkes Brian P. , Kelley Dior R. 
Published: June 2021

AbstractAuxin is a hormone that is required for hypocotyl elongation during seedling development. In response to auxin, rapid changes in transcript and protein abundance occur in hypocotyls, and some auxin responsive gene expression is linked to hypocotyl growth. To functionally validate proteomic studies, a reverse genetics screen was performed on mutants in auxin‐regulated proteins to identify novel regulators of plant growth. This uncovered a long hypocotyl mutant, which we called slim shady, in an annotated insertion line in IMMUNOREGULATORY RNA‐BINDING PROTEIN (IRR). Overexpression of the IRR gene failed to rescue the slim shady phenotype and characterization of a second T‐DNA allele of IRR found that it had a wild‐type (WT) hypocotyl length. The slim shady mutant has an elevated expression of numerous genes associated with the brassinosteroid‐auxin‐phytochrome (BAP) regulatory module compared to WT, including transcription factors that regulate brassinosteroid, auxin, and phytochrome pathways. Additionally, slim shady seedlings fail to exhibit a strong transcriptional response to auxin. Using whole genome sequence data and genetic complementation analysis with SALK_015201C, we determined that a novel single nucleotide polymorphism in PHYTOCHROME B was responsible for the slim shady phenotype. This is predicted to induce a frameshift and premature stop codon at leucine 1125, within the histidine kinase‐related domain of the carboxy terminus of PHYB, which is required for phytochrome signaling and function. Genetic complementation analyses with phyb‐9 confirmed that slim shady is a mutant allele of PHYB. This study advances our understanding of the molecular mechanisms in seedling development, by furthering our understanding of how light signaling is linked to auxin‐dependent cell elongation. Furthermore, this study highlights the importance of confirming the genetic identity of research material before attributing phenotypes to known mutations sourced from T‐DNA stocks.
Smart Therapeutic Strategy of pH‐Responsive Gold Nanoparticles for Combating Multidrug Resistance
Authors: Farooq Muhammad U. , Naz Muhammad Y. , Hussain Muhammad I. , Shukrullah Shazia , Makhlouf Mohamed M. 
Published: June 2021

AbstractAs several multi‐target drug delivery approaches are successfully identified through preclinical screening, their clinical success is often hampered by challenges such as poor circulation stability, dissimilarities in the pharmacokinetics of different drugs, as well as targeting inefficiency. Gold nanoparticles (AuNPs) are adopted as promising nanocarriers in the co‐delivery of multiple therapeutic drugs for combination therapy. The pH‐responsive AuNPs are synthesized and incorporated with multiple chemotherapeutic drugs, such as doxorubicin and bleomycin. Such structures can work as drug carriers to treat cervical carcinoma by adopting a quality by design approach. The designed nanocarrier is characterized by adopting a range of physicochemical and morphological techniques. In vitro drug release and cytotoxicity of optimized nanocarriers are assessed to cervical tumor epithelial cells. The results highlight the notable advantages of colloidal AuNPs, including sustained drug release, therapeutic agent delivery with high stability, and biocompatibility for more effective treatment of cervical carcinoma. Furthermore, by improving the biodistribution and/or bioavailability profiles, it is believed that the two‐in‐one approach may therefore give evidence on the fate of co‐loaded nanocarrier as a promising trajectory for successful clinical translation against ovarian carcinoma to achieve maximum therapeutic synergy for an individual patient.
Biochemistry, structure, and cellular internalization of a four nanobody‐bearing Fc dimer
Authors: Chabrol Eric , Fagnen Charline , Landron Sophie , Marcheteau Estelle , Stojko Johann , Guenin Sophie‐Pénélope , Antoine Mathias , Fould Benjamin , Ferry Gilles , Boutin Jean A. , Vénien‐Bryan Catherine 
Published: June 2021

AbstractVHH stands for the variable regions of heavy chain only of camelid IgGs. The VHH family forms a set of interesting proteins derived from antibodies that maintain their capacity to recognize the antigen, despite their relatively small molecular weight (in the 12,000 Da range). Continuing our exploration of the possibilities of those molecules, we chose to design alternative molecules with maintained antigen recognition, but enhanced capacity, by fusing four VHH with one Fc, the fragment crystallizable region of antibodies. In doing so, we aimed at having a molecule with superior quantitative antigen recognition (×4) while maintaining its size below the 110 kDa. In the present paper, we described the building of those molecules that we coined VHH2‐Fc‐VHH2. The structure of VHH2‐Fc‐VHH2 in complex with HER2 antigen was determined using electronic microscopy and modeling. The molecule is shown to bind four HER2 proteins at the end of its flexible arms. VHH2‐Fc‐VHH2 also shows an internalization capacity via HER2 receptor superior to the reference anti‐HER2 monoclonal antibody, Herceptin®, and to a simple fusion of two VHH with one Fc (VHH2‐Fc). This new type of molecules, VHH2‐Fc‐VHH2, could be an interesting addition to the therapeutic arsenal with multiple applications, from diagnostic to therapy.
Root‐zone enrichment of carbon, nitrogen, and soil‐test biological activity under cotton systems in North Carolina
Authors: Franzluebbers Alan J. 
Published: June 2021

AbstractSoils of the southeastern United States are generally low in organic matter. Root‐zone enrichment of organic carbon (C) and nitrogen (N) may be possible with conservation agricultural management, but little is known of how this might be distributed across private farms. A stratified random survey of 120 cotton (Gossypium hirsutum L.) fields from throughout North Carolina characterized root‐zone contents of soil organic C (SOC), total soil N (TSN), and soil‐test biological activity (STBA). Soils were mostly udults and aquults, but included some udepts, aquepts, aqualfs, and psamments. Depth distribution of soil properties at 0–10, 10–30, and 30–60 cm was fitted to a nonlinear regression model for each soil profile to calculate root‐zone enrichment over that of a baseline content estimated from concentration at 30‐cm depth. Continuous conservation tillage was practiced on 23% of fields. Root‐zone enrichment of TSN and STBA was greater with conservation than with disk tillage (1.30 ± 0.10 vs 0.82 ± 0.04 Mg N ha–1, respectively, p < .001; 209 ± 16 vs 144 ± 6 kg CO2–C ha–1 3 d–1, respectively; p < .001) (mean ± standard error). Difference in root‐zone enrichment of SOC between continuous conservation tillage and frequent disk tillage was 8.5 ± 2.5 Mg C ha–1 among eight subregions and was not affected by variations in baseline SOC content, which was greater in the Flatwoods than the Coastal Plain region due to inherent soil formation factors. These on‐farm results confirm that continuous conservation tillage is needed to enrich root‐zone SOC, TSN, and STBA under cotton production.
Cross the Undruggable Barrier, the Development of SHP2 Inhibitors: From Catalytic Site Inhibitors to Allosteric Inhibitors
Authors: Guo Yu , Xu Yaping , Dong Xiaowu , Zhang Jianjun 
Published: June 2021

AbstractSHP2 (Src homology‐2 domain‐containing protein tyrosine phosphatase‐2) is a unique protein tyrosine phosphatase(PTP)encoded by the PTPN11 gene, which is composed of two SH2 domains (N‐SH2, C‐SH2) and the PTP domain. SHP2 is essential in several oncogenic signaling pathways (especially Ras/Raf/MAPK) and has a wide range of mutations in various cancers. Therefore, the development of inhibitors of SHP2 has become the focus of anticancer research in recent years. Initially, the researchers hoped to directly inhibit SHP2 activity by targeting its catalytic sites like other PTP inhibitors’ development. However, the high homology and strong positivity of PTP catalytic sites bring great difficulties in developing such inhibitors. Finally, in 2015, a compact molecule (SHP099) passed the undruggable barrier of SHP2 through the allosteric tunnel. In this paper, the development of SHP2 inhibitors in recent years will be reviewed to transition from catalytic site inhibitors to allosteric inhibitors to provide suggestions for the development and application of SHP2 inhibitors and other PTP inhibitors.
The Influence of Pressure on Structural, Elastic, Piezoelectric and Dielectric Properties of R3c‐BiAlO3 Based on Ab Initio Calculations
Authors: Almaghbash Zeyad Abdo Ahmed Rashed , Arbouche Omar 
Published: June 2021

AbstractIn this paper, we deal with a theoretical and predictive study of the influence of the applied pressures on the structural, elastic and piezoelectric properties of the rhombohedral BiAlO3 perovskite (R3c space group) phase by combining both the density functional theory (DFT) and the density functional perturbation theory (DFPT) included in the ABINIT code. The results indicate a decrease in structural cell volume and the elastic constants appear to be more intense as the applied pressure increases. Due to the increase in the direct piezoelectric coefficient (e33) and the decrease of the elastic constant (c33), the converse piezoelectric coefficients (d33) tend to improve with increased pressure applied. At a pressure of 10 GPa, the value of the direct piezoelectric constant reached 6.23 C/m2 which becomes an indirect competitor to lead zirconate titanate (PZT). The dielectric constants and born effective charge at high pressure have been calculated. Our results agree well with the available experimental and theoretical results. Our findings, especially piezoelectricity, can help in various applications of high‐pressure devices such ultrasonic transducer.
Deep Hydrogenation Saturation of Naphthalene Facilitated by Enhanced Adsorption of the Reactants on Micro‐Mesoporous Pd/HY
Authors: Li Pengfei , Wang Li , Zhang Xiangwen , Li Guozhu 
Published: June 2021

AbstractDeep hydrogenation saturation of polycyclic aromatic hydrocarbons is of great importance for the production of valuable chemical products, but is hard due to the presence of hardly broken π bond. In this work, micro‐mesoporous HY supported Pd catalysts (Pd/HY‐a) have been prepared by a simple impregnation method following alkali treatment of pristine HY zeolite, which exhibited superior performance for the deep hydrogenation saturation of naphthalene. Pd/HY‐a was systematically characterized and compared with the Pd catalysts supported on pristine HY, ZSM‐5, SBA‐15, and Al2O3. In Pd/HY‐a, abundant mesoporous pore channels together with suitable B acid sites greatly facilitate the adsorption of the reactants (naphthalene and tetralin) and properly tune the electron state of loaded Pd. Therefore, efficient deep hydrogenation saturation of naphthalene has been achieved on Pd/HY‐a. Moreover, the kinetic behaviors of naphthalene hydrogenation on Pd/HY‐a were preliminarily investigated, in which the first‐order kinetic model fitted the experimental data well in the early reaction stage.
Fabrication of FTO/PNIPAm/FTO Electrical‐Thermal Dual‐Response Smart Window for Solar Radiation Management in the Full Temperature Range**
Authors: Zhong Yangyang , Wang Yongjuan , Zhou Yuming , He Qiang , Ge Sujuan , Liu Xiaolin , Xu Ran , Feng Shuangjiang 
Published: June 2021

AbstractDual‐response smart window, which can respond to two external stimuli simultaneously or separately, has more solar adjustment modes and a wider range of solar radiation adjustment. In this paper, a double‐layer fluorine‐tin oxide (FTO) electrical‐thermal mold was presented, and poly(N‐isopropylacrylamide) (PNIPAm) hydrogel was encapsulated in the mold to form an electric‐thermal dual‐response smart window. The electrical response refers to the electrothermal conversion characteristics of the double‐layer FTO mold used to compensate for the insufficient thermochromic performance of the PNIPAm hydrogel when temperature is between 25 °C and 32 °C, rather than electrochromic properties. Finally, when the applied voltage reaches 5 V, the dual‐response smart window achieves a high solar modulation ability (ΔTsol) of 26.51 %. In addition, it can be concluded that a 5 V of applied voltage is adequate for the dual‐response smart window (25 mm×25 mm×2.2 mm) to exhibit excellent ΔTsol and extremely fast response speed by the test of the electrothermal conversion performance, transparency change during the heating process, and UV‐Vis‐NIR transmittance spectra. Furthermore, the thermal management tests and cyclic stability tests indicate that the smart window has a potential energy saving effect and environmental tolerance. The prepared smart window enables PNIPAm hydrogel to manage solar radiation well in the entire ambient temperature range actively or passively.
Highly Surface Active Anisotropic Silver Nanoparticles as Antimicrobial Agent Against Human Pathogens,Mycobacterium smegmatisandCandida albicans
Authors: Agnihotri Ananya S. , Fatima Zeeshan , Hameed Saif , Nidhin M. 
Published: June 2021

AbstractRapid synthesis of anisotropic silver nanoparticles via cost‐effective, non‐hazardous, and eco‐friendly methods using naturally available gums are of greater significance as their chemical synthesis is associated with high toxicity. This study aims to synthesize highly surface‐active anisotropic silver nanoparticles and evaluate their antimicrobial efficacy against human pathogens,Mycobacterium smegmatisandCandida albicans. Anisotropic silver nanoparticles were synthesized using silver nitrate as the metal precursor and gum arabic as the template. The synthesized silver nanoparticles were characterized by UV‐visible spectroscopy, fourier transformation infra‐red (FTIR) spectroscopy, dynamic light scattering (DLS) analysis, high‐resolution transmission electron microscopy and selected area electron diffraction (HRTEM‐SAED) analysis and thermogravimetric analysis (TGA). TEM analysis showed the anisotropy and monodispersed nature of silver nanoparticles with an average size of less than 20 nm. The antibacterial and antifungal properties of the anisotropic silver nanoparticles were also studied keeping rifampicin and fluconazole as the reference. The minimum inhibitory concentration (MIC) was found to be 1 mM silver nanoparticles for bothM. smegmatisandC. albicans. Synthesized anisotropic silver nanoparticles can be used as an alternative to antibiotics to treat the infections caused byM. smegmatisandC. albicans. Further, the effect of silver nanoparticles on haemolytic activity was also studied.
Chemoselective Hydrogenation of Nitroarenes Using Ni−Fe Alloy Catalysts at Ambient Pressure
Authors: Miyazaki Masayoshi , Ariyama Kei , Furukawa Shinya , Takayama Tomoaki , Komatsu Takayuki 
Published: June 2021

AbstractNi−Fe alloy catalysts have been used to achieve high activity and selectivity toward the hydrogenation of nitroarenes to aminoarenes. 4‐Nitrostyrene hydrogenation using a series of Ni‐based bimetallic alloys and intermetallic compounds supported on SiO2 revealed that Ni−Fe alloy catalysts exhibit higher Turnover frequency (TOF) than Ni monometal catalysts with almost similar nanoparticle size. Furthermore, nitro‐selective hydrogenation under atmospheric hydrogen was observed, which has never been reported using conventional Ni catalysts. XRD and XAFS measurements revealed that both Ni and Fe were reduced to their metallic states by pretreatment under hydrogen flow at 400 °C. Kinetic experiments suggested that the formation of Ni−Fe alloy promoted the adsorption of the nitro group and suppressed the hydrogenation of the vinyl group. TOF and selectivity for 4‐nitrostyrene hydrogenation increased by reducing nanoparticle sizes, indicating that the metal–support interfaces interacted with 4‐nitrostyrene. Theoretical calculations suggested that the addition of Fe enhanced the co‐adsorption of dissociated hydrogen and the nitro group.
Wacker‐Tsuji‐Type Oxidation Reactions of Styrene Derivatives Catalyzed by Ferrate
Authors: Hashimoto Toru , Maruyama Tsubasa , Ishimaru Toshiya , Matsugaki Masaru , Shiota Keisuke , Yamaguchi Yoshitaka 
Published: June 2021

AbstractWe have developed a Wacker‐Tsuji‐Type oxidation reaction of styrene derivatives catalyzed by a bench‐stable ferrate. This oxidation reaction, which uses molecular oxygen as the sole oxidant and 1,1,3,3‐tetramethyldisiloxane (TMDS) as a reductant, can realize the oxidation of styrene derivatives to ketones in good yield. In addition, this ferrate‐based system can achieve the cleavage of the C−C double bond of α‐phenyl‐substituted styrene derivatives, providing the one‐carbon‐degraded ketones in good yield.