bluuebunny/crossref_metadata_2025_split huggingface dataset:
muSignAl: An algorithm to search for multiple omic signatures with similar predictive performance
Authors: Prasad Bodhayan , Bjourson Anthony J. , Shukla Priyank 
Published: September 2022

AbstractMultidimensional omic datasets often have correlated features leading to the possibility of discovering multiple biological signatures with similar predictive performance for a phenotype. However, their exploration is limited by low sample size and the exponential nature of the combinatorial search leading to high computational cost. To address these issues, we have developed an algorithm muSignAl (multiple signature algorithm) which selects multiple signatures with similar predictive performance while systematically bypassing the requirement of exploring all the combinations of features. We demonstrated the workflow of this algorithm with an example of proteomics dataset. muSignAl is applicable in various bioinformatics‐driven explorations, such as understanding the relationship between multiple biological feature sets and phenotypes, and discovery and development of biomarker panels while providing the opportunity of optimising their development cost with the help of equally good multiple signatures. Source code of muSignAl is freely available at https://github.com/ShuklaLab/muSignAl.
Solvent‐polarity‐dependent excited‐state behaviors for 2‐(2‐hydroxyphenyl) benzothiazole‐5‐(9H‐carbazol‐9‐yl)phenol fluorophore: A theoretical study
Authors: Li Songtao , Cao Yahui , Dong Hao 
Published: September 2022

AbstractIn this work, we mainly focus on elaborating the effects of solvent polarity on excited state interactions and intramolecular proton transfer (ESIPT) behavior for the novel dye 2‐(2‐hydroxyphenyl) benzothiazole‐5‐(9H‐carbazol‐9‐yl)phenol (HBT‐Cz). Six aprotic solvents with different polarities are considered. Via comparing geometrical parameters, infrared (IR) vibrational spectra, and atomic charge distributions, we confirm that the hydrogen bond of HBT‐Cz is enhanced in S1 state. The enhancement of hydrogen bonding with low polarity is particularly important. Via exploring molecular orbitals, we find that intramolecular charge transfer happens and charge redistribution facilitates ESIPT reaction. Results show that low solvent polarity is more conducive to ESIPT process for HBT‐Cz. In order to clarify detailed reaction mechanism, we construct potential energy curves and determine that the ESIPT process of HBT‐Cz fluorophores could be controlled by solvent polarity. We not only elucidate the excited state behavior of HBT‐Cz systems but also present the polarity‐dependent ESIPT mechanism for HBT‐Cz fluorophore.
Phosphoric acid surface modified Moringa oleifera leaves biochar for the sequestration of methyl orange from aqueous solution: Characterizations, isotherm, and kinetics analysis
Authors: Islam Md. Shahinoor , Roy Hridoy , Afrose Sadiya 
Published: September 2022

AbstractBiochar is a promising engineering material to sequestrate organic pollutants from wastewater. In the current study, several surface‐modified Moringa (M.) oleifera leaf biochars were prepared and utilized for the sorption of methyl orange (MO) dye from an aqueous solution. Raw biochar was produced by the carbonization of M. oleifera leaves at 350°C in a muffle furnace for 2 h. The surface‐modified M. oleifera biochars were prepared at 400°C, 500°C, and 600°C using phosphoric acid (H3PO4) at different combinations to improve the biochar pore structure, surface functional groups, and biochar stability. The highest surface area (267.15 ± 42.40 m2/g) of the modified biochar was achieved at 500°C with H3PO4 to raw biochar ratio of 1.5. Surface morphological results revealed the formation of pores, troughs, and channels with the increasing activation temperature. The carbon (C) content (wt%) was maximum (79.61%) for activated biochar at 500°C. The presence of enhanced functional groups, e.g., hydroxyl, aliphatic carbon‐hydrogen, carbonyl, ester, and phenol structures in surface‐modified biochars was observed from FT‐IR results. The Langmuir isotherm model was fitted to better describe the adsorption phenomenon for both surface‐modified biochars and raw biochar compared to the Freundlich isotherm model. The highest adsorption capacity was 175 mg MO dye/g of activated biochar prepared at 500°C with an H3PO4 impregnation ratio of 1.5. Pseudo‐1st order model fitted the best for raw biochars whereas pseudo‐2nd order and intraparticle diffusion models better describe the sorption of MO onto activated biochar. The results anticipated M. oleifera leaf‐activated biochar as an efficient tool for the treatment of MO contaminated wastewater.
Preparation of Epoxy Resin Emulsifiers with Different Structures and a Comparative Study of their Properties
Authors: Zhang Yancheng , Huang He 
Published: September 2022

AbstractThe structure of epoxy resin emulsifier has important influence on the stability of epoxy resin emulsion/dispersion. However, there is no systematic comparative study so far about the effect of the structure of the epoxy resin emulsifier on their physiochemical properties and performance. In this work, two types of linear (AB and ABA types) and one type of branched epoxy resin emulsifiers were prepared by using bisphenol A epoxy resin E‐44 as the hydrophobic chain segment A and polyethylene glycol (PEG) as the hydrophilic chain segment B, and their physicochemical properties were compared. It has been found that the branched epoxy resin emulsifier is more hydrophilic than the two kinds of linear epoxy resin emulsifiers as a result of higher content of hydrophilic PEG chains. More importantly, the solubilization ability of the branched epoxy resin emulsifier to toluene is much higher than that of the two linear epoxy resin emulsifiers and exhibits an unique behavior, i. e., it increases monotonically with increasing hydrophilic PEG chain length. This work shed a light on the structural importance of epoxy resin emulsifier on its physicochemical properties and may provide a better choice of emulsifiers for the preparation of stable epoxy resin emulsions/dispersions.
Preparation and Properties of α‐Cyanoacryloyloxyethoxypropyl‐functionalized MQ Silicone Resin
Authors: Liu Qingyue , Dong Hong , Zhang Yipin , Wang Erlei , Qu Zhirong , Feng Qinbang , Wu Chuan 
Published: September 2022

Abstractα‐Cyanoacryloyloxyethoxypropyl‐functionalized MQ resins were synthesized using commercially available hydrogen‐containing MQ silicone resin and 2‐(allyloxy)ethoxytrimethylsilane through a series of hydrosilylation, condensation and retro‐Diels‐Alder reactions. Under the conditions of room temperature and relative humidity of 60 %, the prepared silicone resins could be completely cured within 10 h without adding any promoters. When a small amount ofN,N‐dimethyl‐p‐toluidinewas added as an accelerator, the curing time could be shortened to 3–5 s. Although graftedα‐cyanoacryloyloxyethoxypropyl groups on MQ resins reduced their thermal stabilities, the introduction ofα‐cyanoacryloyloxyethoxypropyl groups destroyed the order of polysiloxane segments and eliminated the crystallization behavior of polysiloxane, which is beneficial to maintain structural stability of the functionalized polysiloxanes over a wide temperature range. The water contact angle of the cured product decreased from 102° to approximately75° whenα‐cyanoacryloyloxyethoxypropyl groups were grafted to the polysiloxaneand thus changed the hydrophobicity of the polydimethylsiloxane materials to hydrophilicity. The novelα‐cyanoacryloyloxyethoxypropyl‐functionalized MQ resins not only maintain the inherent flexibility of polysiloxanes but also endow the silicone materials with the characteristics of fast cross‐linking.
Preparation of Silver Nanoparticles Supported on Cellulose‐Immobilized Tannin Resin and Its Catalytic Activity
Authors: Huang Yingchun , Li Jialing , Zeng Shuling , Li Jiaming , Peng Zhiyuan 
Published: September 2022

AbstractSilver nanoparticles (AgNPs) was loaded on spherical cellulose‐immobilized tannin resin (CC‐TA) with AgNO3 solution as the silver source, where CC‐TA was prepared by the cross‐linking polymerization of tannin‐based pre‐polymer and cellulose. The tannin introduced onto the cellulose backbone was used as a reduction reagent for silver ions and a stabilizing agent for AgNPs. The AgNPs are uniform, and the average size is about 6.44±3.19 nm. The catalytic activity of AgNPs supported on cellulose‐immobilized tannin resin(CC‐TA@AgNPs)was detected by the reaction of 4‐nitrophenol (4‐NP) to 4‐aminophenol (4‐AP). This reaction could be accomplished within 1.5 min with an apparent rate constant of 2.32 min−1. The CC‐TA@AgNPs has good cycle catalytic performance, and the conversion rate of 4‐NP to 4‐AP in the presence of CC‐TA@AgNPs is about 100 % after five consecutive cycles. Therefore, the CC‐TA@AgNPs is expected to be a promising catalytic material.
Well‐dispersed FeOCl Nanosheets as High‐performance Chloride Ion Battery Cathode Material
Authors: Yu Tingting , Xing Aowei , Wang Shufen , Zhao Difang , Liang Sheng , Li Jiajia 
Published: September 2022

AbstractThermal decomposition method has been widely used to synthesize FeOCl materials with simple process and low requirements for devices. However, the FeOCl particles show nonuniform size and are easy to grow up together with the rapid reaction. The formed aggregates contribute to the poor cyclic stability for chloride ion battery. Herein, NaCl template was developed to fabricate FeOCl nanosheets with uniform size of thermal decomposition method. When the Fe: Na molar ratio reached 1 : 10, the FeOCl nanosheets showed good dispersity and high chlorine content. The FeOCl‐1‐10‐NaCl cathode delivered a maximum discharge capacity of 145 mAh g−1 and an excellent capacity retention (80 %) over 50 cycles, due to the high particle dispersion in electrode slurry. With the amount of NaCl template increasing, the FeOCl‐1‐40‐NaCl cathode delivered a high initial discharge capacity of 173 mAh g−1, as a result of the low contact resistance and charge transfer resistance.
Phonon Scattering Mechanism for Size‐Dependent Thermoelectric Properties of Bi2Te3 Nanoparticles
Authors: Kumar Choudhary Kamal , Rathore Vinod , Chandra Dixit Ramesh , Kaurav Netram 
Published: September 2022

AbstractThe effect of nanoparticle size on thermoelectric properties of Bi2Te3 nanoparticles is theoretically analysed using a phonon scattering mechanism. The size‐dependent thermoelectric properties in Bi2Te3 nanoparticles give an opportunity to tune the nanoparticles′ size, which helps to optimize the figure of merit (ZT=S2σT/κ). The thermoelectric effect in Bi2Te3 nanoparticles is investigated using the phonon scattering effect. Reduction in nanoparticle size increases interface volume ratio, which increases the scattering of phonons with grain boundaries. An increase in phonon‐grain boundary scatterings decreases the thermal conductivity (κ) due to the shortening of the phonon mean free path. The Seebeck coefficient (S) and simultaneously ZT increase significantly because of a decrease in lattice thermal conductivity. The highest value of ZT=0.45 is obtained at temperature T=400 K for 150 nm Bi2Te3 nanoparticles, which has been enhanced up to ZT=0.92 by reducing the nanoparticles size up to 30 nm at the same temperatures. The results obtained from the present model are in good agreement with the experimental data and reflect that the thermoelectric properties are dominated by the phonon scattering mechanism and depend on the density of interfaces in the material. Numerical analysis of thermoelectric properties from the present investigation will help in designing efficient thermoelectric materials.
Covalent Organic Frameworks (COFs): A Necessary Choice For Drug Delivery
Authors: Guo Hao , Liu Yinsheng , Wu Ning , Sun Lei , Yang Wu 
Published: September 2022

AbstractSome drug molecules with strong chemical activity are unstable in the biological environment and difficult to reach the target, so no matter how good the drug is, it cannot completely prove its efficacy. And drugs need good vectors to help them deliver to their target, where they work best. In recent years, covalent organic frameworks (COFs) have been developed for drug delivery applications due to their regular pore structure, good biocompatibility, topological controllability, and modifiability. In the process of drug delivery, COFs have many advantages such as high drug adsorption capacity, good stability in the biological environment, strong targeting of lesions, and weak cytotoxicity. At present, a lot of work using COFs as drug molecular carriers has been reported, and this minireview summarizes the mechanism of COFs drug delivery and related applications in recent years (drug adsorption and release), by which we expect to achieve more ideas for the future design of drug delivery related COFs and push forward the development of COFs in drug delivery.
UHPLC‐Q‐Orbitrap HRMS Combined with Network Pharmacology to Explore the Mechanism of Chuanhuang Qingre Capsule in the Treatment of Acute Pharyngitis
Authors: Qin Xiaoyan , Zhou Hailun , Wang Xi , Tian Maoying , Dong Zhaowei , Wang Chao , Geng Funeng , Huang Qinwan 
Published: September 2022

AbstractChuanhuang Qingre capsule (CHQR) is composed of Andrographis paniculata and solidago virgaurea, mainly used for treating acute respiratory infection, acute tonsillitis and acute pharyngitis. However, the mechanism of CHQR in treating pharyngitis is still unclear. In this study, UHPLC‐Q‐Orbitrap HRMS technology was used to identify the chemical constituents in CHQR. Network pharmacology combined with a molecular docking approach was used to screen for possible mechanisms to predict CHQR for treating acute pharyngitis. Finally, a rat model of acute pharyngitis was used to confirm the mechanism of CHQR in treating acute pharyngitis.The results showed that UHPLC‐Q‐Orbitrap HRMS identified 68 compounds. Network analysis showed that TP53, AKT1, TNF, IL6 and EGFR were the key targets. The results of molecular docking showed reasonable binding force. The experimental results showed that CHQR could reduce inflammatory cell infiltration and improve pharyngitis symptoms in rats with acute pharyngitis. Elisa results showed that the levels of PGE2, IL‐1β, TNF‐α and IL‐6 in serum decreased. It is suggested that CHQR can prevent and treat acute pharyngitis, mainly by inhibiting the TNF pathway and reducing of inflammatory cytokines levels, which can provide scientific references for clinical research.
A One‐Pot Three‐Step Strategy Enables Robust and Efficient Synthesis of 2‐Aryl Benzoxazoles from Amides
Authors: Huang Bomao , Zhang Xinlan , Guo Yue , Tie Shaolong , Yang Dingqiao , Li Yue 
Published: September 2022

AbstractA one‐pot three‐step tandem approach has been developed and enabled direct transformation of amides into 2‐aryl benzoxazoles. This approach demonstrated high tolerance to various of halogen atoms, heterocyclic and aryl substituents. Moreover, after three steps reactions, this method allowed synthesis of 2‐aryl benzoxazoles in excellent yield, indicating the high conversion of each step. It showed the feasibility of transition‐metal free amide activation and transformation approach in 2‐aryl benzoxazoles synthesis.
Stressors and uplifts of confinement due to covid‐19: A longitudinal study on mental health in a sample of academic and administrative university staff in Spain
Authors: González Gutiérrez José Luis , Écija Gallardo Mari Carmen , Matías Pompa Borja , Alonso Fernández Miriam , Pacho Hernández Juan Carlos , López López Almudena 
Published: September 2022

AbstractThe rapid spread of COVID‐19 caused many countries to decide to enter full lockdown, a circumstance that impacted all aspects of life, including mental health. The present longitudinal study aimed to analyse how stressors and uplifts of confinement were linked to psychological symptoms at three different time points: during the full lockdown (wave 1), after the gradual lifting of restrictions (wave 2) and after confinement (wave 3). The sample was made up by one hundred and twenty academic and administrative staff from a big University in Spain, they all completed an online survey. Results showed that psychological status did not change over time, but a significant interindividual variability was found throughout. Some stressors were only linked to symptoms at wave 1, but others maintained their associations during waves 2 and 3. Uplifts were, for the most part, inversely (and exclusively) linked to symptoms at wave 1. However, some of them, although enjoyable, were paradoxically linked to worse mental health at wave 1, and even at waves 2 and 3. These findings highlight the importance of providing preventive psychological strategies for mental distress before, during and after confinement.
Ultra‐Confined Catalytic Growth Integration of Sub‐10 nm 3D Stacked Silicon Nanowires Via a Self‐Delimited Droplet Formation Strategy
Authors: Hu Ruijin , Liang Yifei , Qian Wentao , Gan Xin , Liang Lei , Wang Junzhuan , Liu Zongguang , Shi Yi , Xu Jun , Chen Kunji , Yu Linwei 
Published: September 2022

AbstractFabricating ultrathin silicon (Si) channels down to critical dimension (CD) <10 nm, a key capability to implementing cutting‐edge microelectronics and quantum charge‐qubits, has never been accomplished via an extremely low‐cost catalytic growth. In this work, 3D stacked ultrathin Si nanowires (SiNWs) are demonstrated, with width and height ofWnw = 9.9 ± 1.2 nm (down to 8 nm) andHnw = 18.8 ± 1.8 nm, that can be reliably grown into the ultrafine sidewall grooves, approaching to the CD of 10 nm technology node, thanks to a new self‐delimited droplet control strategy. Interestingly, the cross‐sections of the as‐grown SiNW channels can also be easily tailored from fin‐like to sheet‐like geometries by tuning the groove profile, while a sharply folding guided growth indicates a unique capability to produce closely‐packed multiple rows of stacked SiNWs, out of a single run growth, with the minimal use of catalyst metal. Prototype field effect transistors are also successfully fabricated, achievingIon/offratio and sub‐threshold swing of >106and 125 mV dec−1, respectively. These results highlight the unexplored potential of versatile catalytic growth to compete with, or complement, the advanced top‐down etching technology in the exploitation of monolithic 3D integration of logic‐in‐memory, neuromorphic and charge‐qubit applications.
Repeatable Actuations of Organic Single Crystal Fibers Driven by Thermosalient‐Phase‐Transition‐Induced Buckling
Authors: Takazawa Ken , Inoue Jun‐ichi , Matsushita Yoshitaka 
Published: September 2022

AbstractThermosalient crystals are molecular solids that exhibit explosive motions, such as sudden breaks and jumps, due to temperature‐induced structural phase transitions between two polymorphs. Therefore, the development of molecular actuators with superior speed and power by deriving mechanical work from explosive motion is a fascinating concept. However, thermosalient transitions often cause crystal disintegration, which hampers repeatable phase transitions between the polymorphs. Here, it is reported that single crystal nano/microfibers of 1, 2, 4, 5‐tetrabromobenzene (TBB), whose bulk crystals exhibit thermosalient behavior at ≈40 °C, can repeatedly transform between the low and high temperature polymorphs without disintegration. The structural tolerance against phase transition is attributed to the high flexibility of the nano/microfibers. It is observed that a structure consisting of a TBB fiber with both ends pinned to the substrate repeatedly buckles and straightens when the temperature is varied between 30 and 40 °C. It is demonstrated that buckling can lead to large displacement actuation as compared to a simple length change of the fiber. Moreover, the force generated by the buckling fiber is estimated and it is found that it can generate a force large enough to flick an object ≈104 times heavier than the fiber itself into the air against gravity.
An adaptive use of Soft Systems Methodology with Strategic Assumption Surfacing and Testing, Critical Systems Heuristics and Interactive Planning in a women's prison
Authors: Torun Yasemin , Torlak Nuri Gökhan 
Published: September 2022

AbstractThis study uses the two strands model of Soft Systems Methodology (SSM) with other change methodologies within a single intervention to elicit new insights into a multi‐methodology and address problems detected in a women's prison in Turkey. Evaluating the strengths and weaknesses of SSM, the study proposes to use SSM, as a core approach, with Strategic Assumption Surfacing and Testing (SAST), Critical Systems Heuristics (CSH) and Interactive Planning (IP), as subordinate methodologies. The multi‐methodology integrates group formation of SAST into the cultural and logic‐based streams of analysis of SSM. Also, it adapts assumption surfacing, dialectical debate and synthesis of SAST, boundary questions of CSH and resource planning of IP to a logic‐driven stream of inquiry of SSM. The study reports the methodological effects of this approach and examples of psychosocial services and a performance appraisal system to assist human well‐being and promote public safety in a women's prison.
SROP matrix: A systematic analysis tool for complex decision‐making
Authors: Tian Shuo , Li Xin , Zhu Boyang , Li Chunhao 
Published: September 2022

AbstractOn the basis of analysing the internal relationship between TOP and WSR, an analysis matrix composed of organizational perspective, personal perspective and two different dimensions of shili and renli is constructed, namely, SROP (shili‐[S], renli‐[R], organizational perspective‐[O], personal perspective‐[P]) analysis matrix. And then, this paper gives the four elements of the formula of SROP matrix consisting of shili, renli analysis based on personal perspective (S‐P, R‐P) and shili, renli analysis based on organizational perspective (S‐O, R‐O). The matrix and formula provide a systematic and integrated analysis tool for complex management decision‐making. Finally, the effectiveness of the tool is demonstrated by using the SROP matrix in emergency decision‐making.
Co‐culturing or conditioned medium of Sertoli cells: Which one supports in vitro maturation of bovine oocytes and developmental competency of resulting embryos?
Authors: Nazifi Sina , Nazari Hassan , Hassanpour Hossein , Ahmadi Ebrahim , Afzali Azita 
Published: September 2022

AbstractBackgroundSertoli cells (SCs) as supportive cells in the seminiferous tubule play an essential role in the nutrition and development of adjacent cells by secreting several beneficial growth factors, stimulators and cytokines which can be conceived to improve the developmental competency of oocyte or embryo in the co‐culture system.ObjectivesThis study aimed to improve the maturation of bovine oocytes and consequently the development of resulting embryos in co‐culture with SCs and their conditioned medium (CM).MethodsThe retrieved cumulus‐oocyte complexes (COCs) from the abattoir‐derived ovaries were matured in maturation medium alone (control group), in co‐culture with ovine SCs (co‐culture group), and in presence of 10% CM prepared in 33°C and 39°C (CM33 and CM39 groups). The nuclear maturation competency and subsequent embryo development rate of cultured COCs in all groups were evaluated.ResultsThe results of this study showed that SCs and CM increased meiosis resumption from GV to the MII compared to the control group, significantly (p < 0.05). Besides, the degenerated oocytes in the co‐culture group were significantly higher than those in the control, CM33 and CM39 groups (p < 0.05), and the lowest cleavage rate belonged to the co‐culture group (p < 0.05). The blastocyst rate was also lower in the co‐culture group than other groups and there was a significant difference between the control and two CM groups (p < 0.05).ConclusionsThe Sertoli cells can be suitable for co‐culturing with oocytes during IVM but detrimental for subsequent embryo development. In turn, Sertoli cell‐derived conditioned medium (SC‐CM) can provide sufficient bioactive materials for COCs to enhancing oocyte competence and embryo development.