bluuebunny/crossref_metadata_2025_split huggingface dataset:
Highly-efficient RuNi single-atom alloy catalysts toward chemoselective hydrogenation of nitroarenes
Authors: Liu Wei , Yang Yusen , Feng Haisong , Niu Yiming , Wang Lei , Yin Pan , Hong Song , Zhang Bingsen , Zhang Xin , Wei Min 
Published: September 2021

Abstract
The design and exploitation of high-performance catalysts as well as understanding the structure-property correlation have gained considerable attention in selective hydrogenation reactions, but remain a huge challenge. Herein, we report a RuNi single atom alloy (SAA) in which Ru single atoms are anchored onto Ni nanoparticle surface via Ru–Ni coordination accompanied with electron transfer from sub-surface Ni to Ru. The optimal catalyst 0.4% RuNi SAA exhibits simultaneously improved activity (TOF value: 4293 h− 1) and chemoselectivity toward selective hydrogenation of 4-nitrostyrene to 4-aminostyrene (yield: >99%), which is, to the best of our knowledge, the highest level compared with reported heterogeneous catalysts. In situ experimental researches based on XAFS, FT-IR measurements and theoretical calculations reveal that the Ru–Ni interfacial sites as intrinsic active centers facilitate the preferential cleavage of N–O bond in nitro group with a decreased energy barrier by 0.35 eV. In addition, the Ru–Ni synergistic catalysis promotes the formation of intermediates (C8H7NO* and C8H7NOH*) and accelerates the rate-determining step (hydrogenation of C8H7NOH*), resulting in the extraordinary activity and chemoselectivity toward nitroarenes hydrogenation.
Nanofibrillated celluloses for the performance improvement of ultra-high ductility cementitious composites
Authors: Liang Long , Zhang Xin , Liu Qiaoling , Li Xiurong 
Published: September 2021

Abstract
This study explored the effect of nanofibrillated celluloses (CNF), namely 0%, 0.05%, 0.1%, and 0.15% of binders weight, on the hydration, rheology, pore structure, and mechanical properties of ultra-high ductility cementitious composites (UHDCC). The hydration kinetics were conducted with different CNF contents using isothermal calorimetry (IC), showing a retardation effect of CNF on the early hydration of UHDCC matrices at 70 h due to the absorption of CNF on the surface of cement particles. Then, thermogravimetric analysis (TGA) demonstrated that CNF improved the degree of hydration at 28 days due to the formation of the CNF transport of water into unhydrated cement cores. The two rheological parameters, namely the yield stress and plastic viscosity, of the fresh UHDCC matrices increased with the increasing CNF contents. Low-field nuclear magnetic resonance (LF-NMR) analysis, as a non-destructive method, proved that the addition of CNF could reduce the porosity of UHDCC and refine its pore size distribution, and the 8.9–46.1% enhancement in the compressive strength of corresponding specimens was found. Notably, CNF could increase the tensile initial cracking stress by 91.2% and tensile stress by 30.8% of UHDCC, and maintain or increase its over 8% of tensile strain-hardening capacity. The flexural tests also were found a 54.6% increase in the initial stress and a 14.8% increase in the peak stress. As a preliminary, CNF shows crucial promising as a greener nanomaterial to improve the strength and ductility of UHDCC.
Numerical analysis on a novel CGPFs for improve NOx conversion efficiency and particulate combustion efficiency to reduce exhaust pollutant emission
Authors: Xie Yong , Zuo Qingsong , Guan Qingwu , Wei Kexiang , Zhang Bin 
Published: September 2021

Abstract
Improving the NOx conversion efficiency and particulate combustion efficiency under cold start conditions (low temperature conditions) is still the main challenge faced by catalytic gasoline particulate filter system (CGPFs). In this study, the physical and mathematical models of novel CGPFs are proposed based on the computational fluid dynamics software. Then, the models are validated based on experiments, and the performances of conventional and novel CGPFs are analyzed comparatively. The comparison conclusions indicate that the NOx conversion efficiency of the novel CGPFs increases by 3.2% and the particulate combustion efficiency increases by 2.7% under the same operating condition. Finally, the effects of exhaust flow vf, exhaust oxygen concentration Co, exhaust NO concentration CNO and electric heating power Pe on the NOx conversion efficiency and particulate combustion efficiency are investigated. The weights of each influencing parameter on the NOx conversion efficiency and particulate combustion efficiency are explored by orthogonal tests. The conclusions show that the NOx conversion efficiency is increased by 3.6% and the particulate combustion efficiency is increased by 16.7% compared to the initial condition. This study has an important reference value for improving the purification efficiency of vehicle emission under cold start conditions.
Dual functions of methacryloyloxydecyl dihydrogen phosphate monomer with de- and re- mineralizing ability
Authors: Zheng Haiyan , Shi Ying , Bi Ling , Zhang Zhixin , Zhou Zihuai , Shao Changyu , Cui Dezhi , Cheng Xiamin , Tang Ruikang , Pan Haihua , Wu Zhifang , Fu Baiping 
Published: September 2021

Abstract
Background

Methacryloyloxydecyl dihydrogen phosphate (MDP) is one of the most commonly used acidic functional monomers in dentin adhesives. MDP has been speculated to induce mineralization, but there has been no convincing evidence of its ability to induce intrafibrillar mineralization. Polymers play a critical role in biomimetic mineralization as the stabilizers/inducers of amorphous precursors. Hence, MDP-induced biomimetic mineralization without the addition of polymers has not been fully verified or elucidated.
Results

MDP-collagen fibrils were heavily mineralized after 48 h. Amphiphilic MDP can not only demineralize dentin (0.5-1 µm) but also induce remineralization of demineralized dentin at 28 days without polymer additives. By combining three-dimensional stochastic optical reconstruction microscopy (3D-STORM), surface zeta potentials, contact angle measurements, inductively coupled plasma-optical emission spectroscopy, transmission electron microscopy, atomic force microscopy, and Fourier transform infrared spectroscopy with circular dichroism, we show that amphiphilic MDP can not only demineralize dentin by releasing protons but also infiltrate collagen fibrils, including dentin collagen, break hydrogen bonds between polypeptides, unwind the triple helical structure and finally immobilize collagen by the formation of chemical bonds. MDP-bound collagen functions as huge collagenous phosphoprotein (HCPP) unlike chemical phosphorylation modifications. HCPP can induce biomimetic mineralization itself without polymer additives by alternatively attracting calcium and phosphate through electrostatic attraction.
Conclusions

We herein propose the dual functions of amphiphilic MDP monomer with de- and re-mineralizing ability. MDP in the free state can demineralize dentin substrates by releasing protons, whereas MDP in the collagen-bound state as HCPP can induce intrafibrillar mineralization. The dual functions of MDP monomer with de- and re-mineralization properties might create new epochs in adhesive dentistry and preventive dentistry.
Effects of ultraviolet radiation on the community structure and metabolic pathways of A2O process at Plateau environment
Authors: Yongchen Zong , Qiang He , Mingzhe Guo , Junhao You , Dongyan Zhang 
Published: September 2021

Abstract

Water treatment ecosystem provides important habitats for various bacterial communities. However, the response mechanism of this ecosystem under ultraviolet rays is not yet clear. In the study, 16S rRNA gene sequencing is used to study the bacterial community structure and metabolic pathways under 5 samples of ultraviolet irradiation times. In general, the bacterial communities of the five samples are different, which indicates that the ultraviolet radiation time has an impact on the bacterial community structure. Analysis of driving factors shows that UV, COD, pH, TN and NH3-N have an impact on the relative abundance of key species. Key species under ultraviolet irradiation are Bacteroidetes, Proteobacteria, Actinobacteria, Firmicutes, Chloroflexi, and Chlamydiae, accounting for 96.69%ཞ98.30%, and ultraviolet irradiation has a significant inhibitory effect on the relative abundance. As the dominant bacterial phyla in Plateau environment, Chlamydiae is discovered for the first time. The network co-occurrence diagrams constructed under different ultraviolet radiation show that each sample is composed of three independent network diagrams. There are 6 common dominant phyla and 33 common dominant bacterial genera in each sample, which reveals that the structure of the ecosystem is composed of more similar microorganisms, rather than random phenomena. It also reflects the competitive relationship between species and the adaptability of bacteria to the environment. Through the analysis of metabolic pathways, it is found that the dominant metabolic pathways in high altitude habitats have certain changes under ultraviolet radiation. Further analysis of carbon, nitrogen and phosphorus metabolic pathways shows that the relative abundance of related metabolic pathways has a certain change, but the difference in metabolic maps is small, that is, the effect of ultraviolet radiation is mainly reflected in the relative abundance of metabolic pathways. These findings indicate that ultraviolet radiation in Plateau environment as an important influencing factor has an impact on microbial structure and metabolic pathways. This research provides an important theoretical basis for further understanding of water treatment ecosystem in Plateau environment, and also provides a new perspective for the development of water treatment ecosystem.
Efficacy of standardized rehabilitation in the treatment of diastasis rectus abdominis in postpartum women in Eastern China
Authors: Hu Jing , Gu Juanfen , Yu Zhiyan , Yang Xianxu , Fan Jian , You Lingying , Hua Qinyan , Zhao Yuting , Yan Yuerong , Bai Weiwei , Xu Zipeng , You Lina , Chen Chaobo 
Published: September 2021

Abstract
Objectives: The aim of the study was to retrospectively summarize the experience and efficacy in the treatment of diastasis rectus abdominis (DRA) via standardized rehabilitation procedures in Eastern China.Methods: This retrospective study included the parturients with DRA admitted to the Xishan People’s Hospital of Wuxi between January 2017 and May 2021. Patients were separated in standardized rehabilitation group (SR) and non-standardized rehabilitation group (non-SR). The outcomes were the change of rectus abdominis separation and Physical Functioning Scale (PFs). Measurement data were compared between the two groups using Student's t-test or Fisher's exact test. Multivariate linear regression was used to analyze the factors associated with standardized rehabilitation process. P value < 0.05 was considered statistically significant.Results: A total of 294 patients with DRA were included in the study. Among the 294 patients, 171 patients were treated with SR (SR), and the other 123 patients were treated without SR process (non-SR). Compared with non-SR, the separation of the rectus abdominis was significantly reduced in SR after standardized rehabilitation treatment (p value<0.0001). The multiple linear regression model analysis results suggested that standardized rehabilitation was an independent factor influencing the prognosis of DRA in parturients (P<0.0001). In addition, the quality of life of the study group was significantly improved (p value<0.0001).Conclusions: Standardized rehabilitation method has the high efficiency in the treatment of DRA in postpartum women, and can improve the quality of life of parturients.
Effect of perioperative cognitive behavioral therapy on chronic post-surgical pain among breast cancer patients with high pain catastrophising characteristics: Protocol for a double-blinded randomised controlled trial.
Authors: Moorthy Aneurin , Lowry Damien , Edgley Carla , Casey Máire-Bríd , Buggy Donal J. 
Published: September 2021

Abstract
BackgroundSurgery is regarded as the primary treatment for breast cancer. Chronic post-surgical pain (CPSP) is a recognised complication after breast cancer surgery, and it is estimated to affect 20–30% of women. Pain catastrophizing has emerged as one of the most influential psychological variables associated with CPSP.MethodsThis trial will be a single-centre, prospective, double-blinded, noninferiority, randomised controlled trial (RCT). Patients scheduled for elective breast cancer surgery (wide local excision or mastectomy with or without axillary lymph node dissection) will be screened preoperatively for high pain catastrophising. Patients with high pain catastrophising, defined as a score of ≥ 24 on the Pain Catastrophising Scale will be deemed eligible for inclusion in the study. Participants will be randomly assigned to receive either a cognitive behavioural therapy or an educational mindfulness based program during their perioperative period. The primary outcome is the Brief Pain Inventory short form average pain severity score at three months postoperatively. Secondary outcomes include patient-reported quality of recovery at Day 1–2 after surgery, levels of pain catastrophising, reported depressed mood and anxiety. ]DiscussionTo the best of our knowledge, this protocol describes the first RCT which directly examines the effect of perioperative cognitive behavioural therapy on CPSP among breast cancer patients with high pain catastrophising characteristics. The outcomes of this trial may have significant implications for these patients because perioperative cognitive behavioural therapy has the potential to become an important perioperative intervention to complement patient management.Trial registrationThis trial is registered on ClinicalTrials.gov Identifier: NCT04924010 on 11th June 2021. All item from the World Health Organisation Trial Registration Data set have been included. https://clinicaltrials.gov/ct2/show/NCT04924010
Disease Burden and Current Therapeutical Status of Leprosy with Special
Emphasis on Phytochemicals
Authors: Swain Shasank Sekhar , Sahoo Gunanidhi , Mahapatra Pravati Kumari , Panda Sujogya Kumar 
Published: September 2021

Background:
Leprosy (Hansen’s disease) is a neglected tropical disease affecting millions
of people globally. The combined formulations of dapsone, rifampicin and clofazimine
(multidrug therapy, MDT) is only supportive in the early stage of detection, while “reemergence” is
a significant problem. Thus, there is still a need to develop newer antileprosy molecules either of
natural or semi-synthetic origin.

Objective:
The review intends to present the latest developments in the disease prevalence, available
therapeutic interventions and the possibility of identifying new molecules from phytoextracts.

Methods:
Literature on the use of plant extracts and their active components to treat leprosy was
searched. Selected phytoconstituents were subjected to molecular docking study on both wild and
mutant types of the Mycobacterium leprae. Since the M. leprae dihydropteroate synthase (DHPS) is
not available in the protein data bank (PDB), it was modelled by the homology model method and
validated with the Ramachandran plot along with other bioinformatics approaches. Two mutations
were introduced at codons 53 (Thr to Ile) and 55 (Pro to Leu) for docking against twenty-five selected
phytoconstituents reported from eight plants that recorded effective anti-leprosy activity. The
chemical structure of phytochemicals and the standard dapsone structure were retrieved from the
PubChem database and prepared accordingly for docking study with the virtual-screening platform
of PyRx-AutoDock 4.1.

Results:
Based on the docking score (kcal/mol), most of the phytochemicals exhibited a higher
docking score than dapsone. Asiaticoside, an active saponin (-11.3, -11.2 and -11.2 kcal/mol), was
proved to be the lead phytochemical against both wild and mutant types DHPS. Some other useful
phytoconstituents include echinocystic acid (-9.6, -9.5 and -9.5 kcal/mol), neobavaisoflavone (-9.2,
-9.0 and -9.0 kcal/mol), boswellic acid (-8.90, -8.90 and -8.90 kcal/mol), asiatic acid (-8.9, -8.8 and
-8.9 kcal/mol), corylifol A (-8.8, 8.0, and -8.0), etc. Overall, the computational predictions support
the previously reported active phytoextracts of Centella asiatica (L.) Urban, Albizia amara (Roxb.)
Boivin, Boswellia serrata Roxb. and Psoralea corylifolia L. to be effective against leprosy.

Conclusion:
A very small percentage of well-known plants have been evaluated scientifically for
antileprosy activity. Further in vivo experiments are essential to confirm anti-leprosy properties of
such useful phytochemicals.
Natural Molecules as Talented Inhibitors of Nucleotide Pyrophosphatases/
Phosphodiesterases (PDEs)
Authors: Orhan Ilkay Erdogan , Rauf Abdur , Saleem Muhammad , Khalil Anees Ahmed 
Published: September 2021

Background:
Phosphodiesterases (PDEs) are a wide group of enzymes with multiple
therapeutic actions, including vasorelaxation, cardiotonic, antidepressant, anti-inflammatory, antithrombotic,
anti-spasmolytic, memory-enhancing, and anti-asthmatic. PDEs with eleven subtypes
from PDE-1 to PDE-11 typically catalyze the cleavage of the phosphodiester bond and, hence, degrades
either cyclic adenosine monophosphate (cAMP) or cyclic guanosine monophosphate (cGMP).

Objective:
Several selective or non-selective inhibitors of the PDE subtypes are used clinically, i.e.
sildenafil, rolipram, cysteine, etc. Recently, interest in plant-based pharmacologically bioactive
compounds having potent PDEs inhibitory potential has increased. Purposely, extensive research
has been carried out on natural products to explore new inhibitors of various PDEs. Therefore, this
review summarizes the published data on natural PDEs inhibitors and their potential therapeutic applications.

Methods:
For this purpose, natural compounds with PDE inhibitory potential have been surveyed
through several databases, including PubMed, Web of Sciences (WoS), Scopus, and Google Scholar.

Results :
According to a detailed literature survey, the most promising class of herbal compounds
with PDE-inhibiting property has been found to belong to phenolics, including flavonoids (luteolin,
kaempferol, icariin, etc.). Many other encouraging inhibitors from plants have also been identified,
such as coumarins (23, 24) (licoarylcoumarin and glycocoumarin,), saponins (agapanthussaponins),
lignans (31, 33) [(±)-schizandrin and kobusin], terpenes (28, 29, 31) (perianradulcin A,
quinovic acid, and ursolic acid), anthraquinones (18, 19) (emodin and chrysophanol), and alkaloids
(Sanjoinine-D) (36).

Conclusion:
In this review, studies have revealed the PDE-inhibitory potential of natural plant extracts
and their bioactive constituents in treating various diseases; however, further clinical studies
comprising synergistic use of different therapies (synthetic & natural) to acquire multi-targeted results
might also be a promising option.
The Coexistence of Two Different Epithelial Ovarian Tumors: A Rare Case
Authors: Topaloğlu Ömer Faruk , Uysal Emine , Çelik Zeliha Esin , Çelik Çetin 
Published: September 2021

Background:
Background: Epithelial tumors are the most common subgroup and are seen in 60-70%
of all ovarian tumors. Serous cystadenoma and mucinous cystadenoma are the most common benign
epithelial tumors. Serous cystadenomas are ovarian tumors with the highest bilateral incidence.
The coexistence of tumors with different histopathology in the ovaries is extremely rare and
has only been reported in a few cases in the literature. We present a case of bilateral ovarian tumor
that was diagnosed as serous and mucinous cystadenoma after laparoscopic surgery.

Case report:
A 45-year-old female patient was admitted to our center with swelling in the pelvic
region and pain in the left lumbar region. US imaging showed a cystic lesion in the right adnexal
area, 4x2 cm in size, well-circumscribed, containing a few thin septa, and a low echo fluid content.
A cystic lesion with 6x4cm sized multilocular, well-circumscribed, slightly high echo fluid content
was observed in the left adnexal area. On CT, a complex cystic lesion measuring 6x4cm was observed
in the left adnexal area, pushing the left ureter laterally and causing the hydroureter. In addition,
a 4x2 cm cystic lesion was observed in the right adnexal area and hydroureter was observed
on the right side proximal to this lesion. Both lesions were removed by surgery. On histopathologic
examination, the left-sided cystic lesion was diagnosed as mucinous cystadenoma, and the right-sided
cystic lesion was diagnosed as serous cystadenoma.

Conclusion:
The coexistence of different ovarian tumor subtypes is rare. In this article, we presented
a case in which serous and mucinous cystadenoma lesions were seen together for the fourth time
in the literature, according to our knowledge.
Withdrawal Notice: An Insight Data On Medication Safety in Accordance with Drug Complications Based On Automated Drug Dispensing System
Authors: Chaudhary Nandini , Gupta Harshita , Dwivedi Divya 
Published: September 2021

The article has been withdrawn at the request of the authors of the journal Current Drug Safety, due to incoherent content.

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