bluuebunny/crossref_metadata_2025_split huggingface dataset:
Photocatalytic Conversion of Methane: Recent Advancements and Prospects
Authors: Li Qi , Ouyang Yuxing , Li Hongliang , Wang Liangbing , Zeng Jie 
Published: July 2021

AbstractAbundant and affordable methane is not only a high‐quality fossil fuel, it is also a raw material for the synthesis of value‐added chemicals. Solar‐energy‐driven conversion of methane offers a promising approach to directly transform methane to valuable energy sources under mild conditions, but remains a great challenge at present. In this Review, recent advances in the photocatalytic conversion of methane are systematically summarized. Insights into the construction of effective semiconductor‐based photocatalysts from the perspective of light‐absorption units and active centers are highlighted and discussed in detail. The performance of various photocatalysts in the conversion of methane is presented, with the photooxidation classified according to the oxidant systems. Lastly, challenges and future perspectives in the photocatalytic oxidation of methane are described.
Boosting Photoacoustic Effect via Intramolecular Motions Amplifying Thermal‐to‐Acoustic Conversion Efficiency for Adaptive Image‐Guided Cancer Surgery
Authors: Gao Heqi , Duan Xingchen , Jiao Di , Zeng Yi , Zheng Xiaoyan , Zhang Jingtian , Ou Hanlin , Qi Ji , Ding Dan 
Published: July 2021

AbstractPhotoacoustic (PA) imaging emerges as a promising technique for biomedical applications. The development of new strategies to boost PA conversion without depressing other properties (e.g., fluorescence) is highly desirable for multifunctional imaging but difficult to realize. Here, we report a new phenomenon that active intramolecular motions could promote PA signal by specifically increasing thermal‐to‐acoustic conversion efficiency. The compound with intense intramolecular motion exhibits amplified PA signal by elevating thermal‐to‐acoustic conversion, and the fluorescence also increases due to aggregation‐induced emission signature. The simultaneously high PA and fluorescence brightness of TPA‐TQ3 NPs enable precise image‐guided surgery. The preoperative fluorescence and PA imaging are capable of locating orthotopic breast tumor in a high‐contrast manner, and the intraoperative fluorescence imaging delineates tiny residual tumors. This study highlights a new design guideline of intramolecular motion amplifying PA effect.
Asymmetric Synthesis of Fluorinated Allenes by Rhodium‐Catalyzed Enantioselective Alkylation/Defluorination of Propargyl Difluorides with Alkylzincs
Authors: Ng Jia Sheng , Hayashi Tamio 
Published: July 2021

AbstractThe reaction of propargyl difluorides R1CF2C≡CR2with alkylzincs R3ZnCl giving axially chiral fluorinated allenes R1FC=C=CR2R3with high enantioselectivity (up to 99 %ee) was found to be catalyzed by a chiral diene/rhodium complex. A key step in the catalytic cycle is selective elimination of one of the enantiotopic fluorides at the β‐position of an alkenyl‐Rh intermediate, which is generated by regioselective addition of R3‐Rh onto the triple bond of the starting difluorides.
Mechanistic Study of the Aqueous Reaction of Organic Peroxides with HSO3− on the Surface of a Water Droplet
Authors: Li Hao , Wang Xiao , Zhong Jie , Chu Biwu , Ma Qingxin , Zeng Xiao Cheng , Francisco Joseph S. , He Hong 
Published: July 2021

AbstractAqueous reactions between organic peroxides and SO2 are of intense interest in atmospheric science because of their ubiquitous implications for sulfate formation in secondary aerosols. However, the relative yields of the reaction products (inorganic vs. organic sulfates) remain controversial (i.e., 90 % vs. 40–70 % for inorganic sulfate) due in part to the lack of understanding of the underlying reaction mechanisms. Here, our computational results suggest that the reactions of HSO3− (dissolved SO2) with organic peroxides are initiated on the surface of water nanodroplets and then proceed under two reaction pathways, in which the S atom of HSO3− attacks either the O1 or O2 atom of the peroxide group ‐O(O2)O(O1)H, leading to the formation of inorganic and organic sulfates, respectively. Notably, we find that thse reaction initiated by O1 atom exhibits a relatively low energy barrier and high reaction rate, which favours the formation of inorganic sulfate.
Logic‐Gated Proximity Aptasensing for Cell‐Surface Real‐Time Monitoring of Apoptosis
Authors: Zheng Jiao , Wang Qiwei , Shi Lin , Peng Pai , Shi Lili , Li Tao 
Published: July 2021

AbstractIn nature, intact apoptotic cells release ATP as a signaling molecule to trigger prompt phagocytic clearance, even at the earliest stage of apoptosis. Inspired by this, here we introduce a straightforward strategy for real‐time monitoring ATP exocytosis and drug‐stimulated apoptosis in the cancer cell surroundings. Triplex‐boosted G‐quadruplexes (tb‐G4s) responding to cell environmental factors (H+ and K+) are engineered to construct a DNA logic‐gated nanoplatform for proximity ATP aptasensing on the cell surface. It enables the real‐time monitoring of cell apoptosis by capturing released endogenous ATP during chemotherapy drug stimulation, providing a sensitive approach for dynamically evaluating drug‐induced apoptosis and therapeutic efficacy.
HPM‐16, a Stable Interrupted Zeolite with a Multidimensional Mixed Medium–Large Pore System Containing Supercages
Authors: Gao Zihao Rei , Balestra Salvador R. G. , Li Jian , Camblor Miguel A. 
Published: July 2021

AbstractHPM‐16 is a highly porous germanosilicate zeolite with an interrupted framework that contains a three‐dimensional system of 12+10×10(12)×12+10‐membered ring (MR) pores. The 10(12) MR pore in the b direction is a 10 MR pore with long 12 MR stretches forming 30 Å long tubular supercages. Along one direction the 10 MR pores are fused, meaning that the separation between adjacent pores consists of a single tetrahedron that is, additionally, connected to only three additional tetrahedra (a Q3). These fused pores are thus decorated by T‐OH groups along the whole diffusion path, creating a hydrophilic region embedded in an otherwise essentially hydrophobic environment. The structure is built from highly porous 12×12×12 MR uninterrupted layers that are connected to each other through Q3 producing a second system of 10×10×10 MR pores. This zeolite can be extensively degermanated yielding a material with high thermal stability, despite its interrupted nature.
Intrinsic ORR Activity Enhancement of Pt Atomic Sites by Engineering the d‐Band Center via Local Coordination Tuning
Authors: Zhu Xiaofeng , Tan Xin , Wu Kuang‐Hsu , Haw Shu‐Chih , Pao Chih‐Wen , Su Bing‐Jian , Jiang Junjie , Smith Sean C. , Chen Jin‐Ming , Amal Rose , Lu Xunyu 
Published: July 2021

AbstractA considerable amount of platinum (Pt) is required to ensure an adequate rate for the oxygen reduction reaction (ORR) in fuel cells and metal‐air batteries. Thus, the implementation of atomic Pt catalysts holds promise for minimizing the Pt content. In this contribution, atomic Pt sites with nitrogen (N) and phosphorus (P) co‐coordination on a carbon matrix (PtNPC) are conceptually predicted and experimentally developed to alter the d‐band center of Pt, thereby promoting the intrinsic ORR activity. PtNPC with a record‐low Pt content (≈0.026 wt %) consequently shows a benchmark‐comparable activity for ORR with an onset of 1.0 VRHE and half‐wave potential of 0.85 VRHE. It also features a high stability in 15 000‐cycle tests and a superior turnover frequency of 6.80 s−1 at 0.9 VRHE. Damjanovic kinetics analysis reveals a tuned ORR kinetics of PtNPC from a mixed 2/4‐electron to a predominately 4‐electron route. It is discovered that coordinated P species significantly shifts d‐band center of Pt atoms, accounting for the exceptional performance of PtNPC.
Mo2C/C Hierarchical Double‐Shelled Hollow Spheres as Sulfur Host for Advanced Li‐S Batteries
Authors: Li Wanli , Chen Kai , Xu Qingchi , Li Xingyun , Zhang Qian , Weng Jian , Xu Jun 
Published: July 2021

AbstractOne of the major challenges regarding the sulfur cathode of Li‐S batteries is to achieve high sulfur loading, fast Li ions transfer, and the suppression of lithium polysulfides (LiPSs) shuttling. This issue can be solved by the development of molybdenum carbide decorated N‐doped carbon hierarchical double‐shelled hollow spheres (Mo2C/C HDS‐HSs). The mesoporous thick inner shell and the central void of the HDS‐HSs achieve high sulfur loading, facilitate the ion/electrolyte penetration, and accelerate charge transfer. The microporous thin outer shell suppresses LiPSs shuttling and reduces the charge/mass diffusion distance. The double‐shelled hollow structure accommodates the volume expansion during lithiation. Furthermore, Mo2C/C composition renders the HDS‐HSs cathode with improved conductivity, enhanced affinity to LiPSs, and accelerated kinetics of LiPSs conversion. The structural and compositional advantages render the Mo2C/C/S HDS‐HSs electrode with high specific capacity, excellent rate capability, and ultra‐long cycling stability in the composed Li‐S batteries.
Influence of grease formulation parameters on the tribological property of rice bran oil based lubricating grease
Authors: Thampi Ananthan D. , Alokkan Deepkant , Biju Gokul , Sasidharan Baiju , Rani Santhakumari 
Published: July 2021

AbstractThe negative environmental impacts and depletion of resources caused due to the excess usage of petroleum based products made researchers to think about an alternative biodegradable product. In the present study, rice bran oil (RBO) was used as a base oil for formulating 16 different grease samples. The thickener used was generated in situ by mixing 12‐hydroxy stearic acid (12 HSA) to calcium hydroxide at a different ratio from 1.25 to 2. The formulation parameters such as weight % of thickener, saponification time, and maximum temperature spanned the ranges 5–11 wt.%, 1–2.5 h, and 150–180°C, respectively. The tribological properties such as wear scar diameter (WSD) and friction of 16 different grease samples formulated by varying these parameters were evaluated using a standard four‐ball tester as per ASTM standards. The grease samples were characterized by evaluating the penetration value using a standard cone penetrometer. The influence of these formulation parameters on the experimentally evaluated properties was also examined in this work. The results indicated that the variation of these parameters during grease formulation has a significant influence on the evaluated properties.
Active packaging gelatin films based on chitosan/Arabic gum/coconut oil Pickering nano emulsions
Authors: Sultan Maha , Elsayed Hamed , Abdelhakim Abou El Fettouh , Taha Ghada 
Published: July 2021

AbstractThis investigation intended at fabricating gelatin active packaging films based on nano‐sized droplets of coconut oil emulsified by Pickering emulsion (PE) using chitosan/Arabic gum (CH/AG) nanoparticles (NPs) as a stabilizer and in the presence of titanium dioxide NP (TiO2NPs) as an extra antimicrobial agent. The developed films were characterized by attenuated total reflectance–Fourier transmittanceinfrared, X‐ray diffraction, and scanning electron microscope. The antimicrobial, antioxidant, water vapor sorption isotherm, and mechanical properties of the prepared films were assessed. The (CH/AG) NPs weight ratios (1:1, 1:2, and 2:1) impact on particle size (PS), zeta potential, wettability, morphology, and in vitro cumulative release was investigated. The (CH/AG) NPs (1:2) exhibits the small PS (246.4 nm). (CH/AG) NPs and PE exhibit spherical and oval morphologies. The CH/AG (1:2) exhibits the higher water contact angle (85.7o). At the oil volume fraction (α) = 1.0, nearly 81% of the entrapped oil released from the NPs. Gelatin films enriched with P atα = 1.0 exhibits two‐fold increasing scavenging activity % (35.69 ± 0.56) compared with control film (14.8 ± 0.25). The films have a considerable antibacterial and antifungal activity for all test microorganism. However, control sample did not show antimicrobial activity againstBacillus cereusandCandida albicans.
Spatial distribution of silica fillers in phase‐separated rubber blends investigated by three‐dimensional elemental mapping
Authors: Lyu Lingyun , Hanada Takeshi , Yamahira Naohiro , Morita Jun , Yamamoto Ryota , Itomi Ken , Adachi Takumi , Kubouchi Sho , Horiuchi Shin 
Published: July 2021

AbstractThe distribution of nano‐sized silica in binary rubber blends is characterized by scanning transmission electron microscopy (STEM) tomography combined with energy dispersive X‐ray spectrometry (EDX). 3D distribution of silica is visualized by STEM‐EDX tomography with the tilt‐series of silicon elemental maps, while the phase‐separated morphologies of polyisoprene rubber (IR) and styrene‐butadiene rubber (SBR) are visualized by STEM‐tomography in high‐angle‐annular‐dark field (HAADF) mode. The combination of STEM‐EDX and STEM‐HAADF tomography enables us to determine the distribution of silica between the two rubber phases quantitatively even with high contents of silica up to 70 phr (weight parts per hundred rubber). It is found that silica is preferentially distributed in the SBR phase, but it is also distributed in the IR phase when the IR fraction in the total rubber components is higher than 40 wt%. The preferential distribution of silica in the SBR phase improves the dispersion of the IR domains. This is the first use of this technique for a multicomponent polymer system, showing the advantage to characterize the complicated multicomponent polymer composite morphologies.
Association of a Combination of Healthy Lifestyle Behaviors With Reduced Risk of Incident Systemic Lupus Erythematosus
Authors: Choi May Y. , Hahn Jill , Malspeis Susan , Stevens Emma F. , Karlson Elizabeth W. , Sparks Jeffrey A. , Yoshida Kazuki , Kubzansky Laura , Costenbader Karen H. 
Published: July 2021

ObjectiveWhile previous studies have demonstrated an association between individual factors related to lifestyle and the risk of systemic lupus erythematosus (SLE), it is unclear how the combination of these factors might affect the risk of incident SLE. This study was undertaken to prospectively evaluate whether a combination of healthy lifestyle factors is associated with a lower risk of incident SLE and its subtypes (anti–double‐stranded DNA [anti‐dsDNA]–positive and anti‐dsDNA–negative SLE).MethodsThe study included 185,962 women from the Nurses’ Health Study (NHS) and NHSII cohorts, among whom there were 203 incident cases of SLE (96 with anti‐dsDNA–positive SLE, 107 with anti‐dsDNA–negative SLE) during 4,649,477 person‐years of follow‐up. The Healthy Lifestyle Index Score (HLIS) was calculated at baseline and approximately every 2 years during follow‐up, with scores assigned for 5 healthy lifestyle factors: alcohol consumption, body mass index, smoking, diet, and exercise. A time‐varying Cox proportional hazards regression model was used to estimate the adjusted hazard ratios (HRs) with 95% confidence intervals (95% CIs) for the risk of SLE. In addition, the percentage of partial population attributable risk (PAR%) of SLE development was calculated.ResultsA higher HLIS was associated with a lower risk of SLE overall (HR 0.81 [95% CI 0.71–0.94]) and a lower risk of anti‐dsDNA–positive SLE (HR 0.78 [95% CI 0.63–0.95]). Women with ≥4 healthy lifestyle factors had the lowest risk of SLE overall (HR 0.42, 95% CI 0.25–0.70) and lowest risk of anti‐dsDNA–positive SLE (HR 0.35, 95% CI 0.17–0.75) as compared to women with only 1 healthy behavior or no healthy behaviors. The PAR% of SLE development was 47.7% (95% CI 23.1–66.6%), assuming that the entire population had adhered to at least 4 healthy lifestyle behaviors.ConclusionThese results indicate that the risk of developing SLE, a disease in which significant evidence of genetic involvement has been established, might be reduced by nearly 50% with adherence to modifiable healthy lifestyle behaviors.
Recent Advances of Zinc‐based Antimicrobial Materials
Authors: Riduan Siti Nurhanna , Zhang Yugen 
Published: July 2021

AbstractZinc has been widely utilized as an antimicrobial material, often in the form of complexes or zinc oxide nanoparticles. The efficacy of zinc complexes are often due to the synergistic effect of both the zinc ions and the attached organic ligands. In contrast, the nanoparticle effect of ZnO, and the photocatalytic generation of reactive oxygen species (ROS) has been postulated to be the effective mechanism of ZnO as a biocide. Recently, new forms of zinc‐based biocidal materials have been reported with distinct antimicrobial mechanisms. This minireview summarizes these recent advances, including zinc‐based nano‐arrays, MOF‐based ROS release and zinc composites that can self‐generate ROS.
Fetal exposure to tofacitinib during the first trimester: A healthy newborn case report
Authors: Fernández‐Sánchez Mireya , Ribes‐Artero Hugo , Romá‐Sánchez Eva , Gómez‐Portero M. Rosa , Guerrero‐Hurtado Eduardo , García‐Pellicer Javier , Poveda‐Andrés Jose Luis 
Published: July 2021

AbstractIntroductionPreclinical studies with tofacitinib demonstrated teratogenic effects. Data about effects on human fetuses are limited and current recommendations are to immediately discontinue the treatment. Our purpose is to report a case of exposure to tofacitinib during the first trimester of pregnancy.Case SummaryA 40‐year‐old woman with psoriatic arthritis became pregnant during the first month of treatment with tofacitinib. Tofacitinib was interrupted immediately, and parents were informed about the possible risks of teratogenicity. At the end of pregnancy, our patient gave birth to a healthy newborn.ConclusionAll the available evidence of tofacitinib exposure during pregnancy in humans belongs to outcomes of unexpected pregnancies in the context of clinical trials and post‐marketing cases. This case may contribute to enriching available data about teratogenic risks of tofacitinib exposure during pregnancy.
In silico process characterization for biopharmaceutical development following the quality by design concept
Authors: Saleh David , Wang Gang , Rischawy Federico , Kluters Simon , Studts Joey , Hubbuch Jürgen 
Published: July 2021

AbstractWith the quality by design (QbD) initiative, regulatory authorities demand a consistent drug quality originating from a well‐understood manufacturing process. This study demonstrates the application of a previously published mechanistic chromatography model to the in silico process characterization (PCS) of a monoclonal antibody polishing step. The proposed modeling workflow covered the main tasks of traditional PCS studies following the QbD principles, including criticality assessment of 11 process parameters and establishment of their proven acceptable ranges of operation. Analyzing effects of multi‐variate sampling of process parameters on the purification outcome allowed identification of the edge‐of‐failure. Experimental validation of in silico results demanded approximately 75% less experiments compared to a purely wet‐lab based PCS study. Stochastic simulation, considering the measured variances of process parameters and loading material composition, was used to estimate the capability of the process to meet the acceptance criteria for critical quality attributes and key performance indicators. The proposed workflow enables the implementation of digital process twins as QbD tool for improved development of biopharmaceutical manufacturing processes.
An aberrant DNA methylation signature for predicting the prognosis of head and neck squamous cell carcinoma
Authors: Chen Dayang , Wang Mengmeng , Guo Ying , Wu Wei , Ji Xiang , Dou Xiaowen , Tang Huamei , Zong Zengyan , Zhang Xiuming , Xiong Dan 
Published: July 2021

AbstractHead and neck squamous cell carcinoma (HNSCC) is a common malignancy worldwide with a poor prognosis. DNA methylation is an epigenetic modification that plays a critical role in the etiology and pathogenesis of HNSCC. The current study aimed to develop a predictive methylation signature based on bioinformatics analysis to improve the prognosis and optimize therapeutic outcome in HNSCC. Clinical information and methylation sequencing data of patients with HNSCC were downloaded from The Cancer Genome Atlas database. The R package was used to identify differentially methylated genes (DMGs) between HNSCC and adjacent normal tissues. We identified 22 DMGs associated with 246 differentially methylated sites. Patients with HNSCC were classified into training and test groups. Cox regression analysis was used to build a risk score formula based on the five methylation sites (cg26428455, cg13754259, cg17421709, cg19229344, and cg11668749) in the training group. The Kaplan–Meier survival curves showed that the overall survival (OS) rates were significantly different between the high‐ and low‐risk groups sorted by the signature in the training group (median: 1.38 vs. 1.57 years, log‐rank test, p < 0.001). The predictive power was then validated in the test group (median: 1.34 vs. 1.75 years, log‐rank test, p < 0.001). The area under the receiver operating characteristic curve (area under the curve) based on the signature for predicting the 5‐year survival rates, was 0.7 in the training and 0.73 in test groups, respectively. The results of multivariate Cox regression analysis showed that the riskscore (RS) signature based on the five methylation sites was an independent prognostic tool for OS prediction in patients. In addition, a predictive nomogram model that incorporated the RS signature and patient clinical information was developed. The innovative methylation signature‐based model developed in our study represents a robust prognostic tool for guiding clinical therapy and predicting the OS in patients with HNSCC.
α‐Glucosidase Inhibition Action of Major Flavonoids Identified from Hypericum Attenuatum Choisy and Their Synergistic Effects
Authors: Jin Du‐Xin , He Jun‐Fang , Zhang Ke‐Qin , Luo Xue‐Gang , Zhang Tong‐Cun 
Published: July 2021

AbstractHypericum attenuatum Choisy is a traditional Chinese herbal plant with multiple therapeutic effects. In this study, bioactivity‐guided fractionation of Hypericum attenuatum Choisy extracts afforded three major flavonoids (including astragalin, guaijaverin and quercetin), which possessed α‐Glucosidase inhibitory activity with IC50 values of 33.90±0.68 μM, 17.23±0.75 μM and 31.90±0.34 μM, respectively. Circular dichroism analysis revealed that all the three compounds could interact with α‐glucosidase by inducing conformational changes of the enzyme. Molecular docking results indicated that they could bind to the active site in α‐glucosidase, and the binding force was driven mainly by hydrogen bond. Additionally, isobolographic analysis of the interactions between two compounds showed that all the combinations presented a synergistic α‐glucosidase inhibitory effect at lower concentrations, and the combination between quercetin and guaijaverin or astragalin exhibited the best synergistic effect. This research might provide a theoretical basis for the application of Hypericum attenuatum Choisy in treating hyperglycemia.