bluuebunny/crossref_metadata_2025 huggingface dataset:
High incidence of deep vein thrombosis during the treatment of pseudoaneurysms – a retrospective nonrandomized study
Authors: Herold Joerg , Peters Sophie , Juenger Jonas , Udelnow Andrej , Kropf Siegfried , Bauersachs Rupert , Braun-Dullaeus Ruediger
Published: January 2021

Summary: Background: Pseudoaneurysms (PSAs) are concerning complications after arterial invasive interventions. Therapeutic options include manual ultrasound-assisted compression, pressure dressings, surgical intervention and thrombin injection. Compression of neighboring veins is obvious. However, the incidence of deep vein thrombosis (DVT) in patients with PSA has not previously been investigated. Patients and methods: In this retrospective, nonrandomized study 238 patients with PSA were analyzed from 2013 to 2018. In 149 patients, all of the parameters were complete for participating. PSAs were treated according to the local standard therapy with either ultrasound-guided compression followed by compression bandage or thrombin injection. Treatment success was evaluated 24 hours later, and the venous system was examined for the presence of DVT. Results: Peripheral DVT was found in 25.4% patients after ultrasound-assisted compression and subsequent pressure bandages, but only 6.4% of patients had DVT after thrombin injection (p = 0.013). Lower leg veins, particularly veins of the crural muscles, were primarily affected. Significantly more PSAs were successfully treated without the occurrence of DVT in the thrombin injection group compared to the compression group (93.6 vs. 69.0%; p = 0.001). Conclusions: Our study revealed that the use of thrombin injections resulted in a significantly lower rate of postinterventional DVT and a higher total number of successfully treated PSAs compared to compression therapy.
Author Correction: NELL-1 in the treatment of osteoporotic bone loss
Authors: James Aaron W. , Shen Jia , Zhang Xinli , Asatrian Greg , Goyal Raghav , Kwak Jin H. , Jiang Lin , Bengs Benjamin , Culiat Cymbeline T. , Turner A. Simon , Seim Howard B. , Wu Benjamin M. , Lyons Karen , Adams John S. , Ting Kang , Soo Chia
Published: January 2021

A Correction to this paper has been published: https://doi.org/10.1038/s41467-021-20933-x.
Comprehensive characterisation of Culicoides clastrieri and C. festivipennis (Diptera: Ceratopogonidae) according to morphological and morphometric characters using a multivariate approach and DNA barcode
Authors: Hadj-Henni Leila , Djerada Zoubir , Millot Christine , Augot Denis
Published: January 2021

Biting midges are widespread around the world and play an essential role in the epidemiology of over 100 veterinary and medical diseases. For taxonomists, it is difficult to correctly identify species because of affinities among cryptic species and species complexes. In this study, species boundaries were examined for C. clastrieri and C. festivipennis and compared with six other Culicoides species. The classifiers are partial least squares discriminant analysis (PLS-DA) and sparse partial least squares discriminant analysis (sPLS-DA).The performance of the proposed method was evaluated using four models: (i) geometric morphometrics applied to wings; (ii) morphological wing characters, (iii) "Full wing" (landmarks and morphological characters) and (iv)  "Full model" (morphological characters—wing, head, abdomen, legs—and wing landmarks). Double cross-validation procedures were used to validate the predictive ability of PLS-DA and sPLS-DA models. The AUC (area under the ROC curve) and the balanced error rate showed that the sPLS-DA model performs better than the PLS-DA model. Our final sPLS-DA analysis on the full wing and full model, with nine and seven components respectively, managed to perfectly classify our specimens. The C. clastrieri and C. festivipennis sequences, containing both COI and 28S genes, revealed our markers’ weak discrimination power, with an intraspecific and interspecific divergence of 0.4% and 0.1% respectively. Moreover, C. clastrieri and C. festivipennis are grouped in the same clade. The morphology and wing patterns of C. clastrieri and C. festivipennis can be used to clearly distinguish them. Our study confirms C. clastrieri and C. festivipennis as two distinct species. Our results show that caution should be applied when relying solely on DNA barcodes for species identification or discovery.
Preoperative predictive factor analysis of ovarian malignant involvement in premenopausal patients with clinical stage I endometrioid endometrial carcinoma
Authors: Chen Qin , Feng Yan , Wang Wenwen , Lv Weiguo , Li Baohua
Published: January 2021

Earlier literature suggests that ovarian preservation in young premenopausal clinical stage I endometrioid endometrial carcinoma patients does not negatively impact prognosis. The main purpose of this study was to clarify the incidence of ovarian malignant involvement in this group and further identify potential preoperative predictive factors of ovarian malignant involvement. A total of 511 premenopausal (age ≤ 50 years) patients were enrolled for the study at Women’s Hospital, Zhejiang University School of Medicine, between January 2002 and December 2016. Ovarian malignant involvements were detected in 23 of the patients (4.5%). Univariate and multivariate logistic analysis validated preoperative imaging of myometrial invasion depth and preoperative serum carbohydrate antigen 125 (CA125) level as independent risk predictors of postoperative ovarian malignant involvement. Receiver operating characteristic (ROC) curves was generated for a combination of the two factors. The area under curve (AUC) was 0.772 (95% confidence interval [CI] 0.661–0.884) for the combined two factors. The incidence of postoperative ovarian malignant involvement was relatively minimal. Preoperative imaging of myometrial invasion depth and serum CA125 level were independent risk predictors of ovarian malignant involvement. These findings may facilitate preoperative counseling of patients and informed clinical decision-making on ovarian preservation in these patients.
Early β adrenoceptor dependent time window for fear memory persistence in APPswe/PS1dE9 mice
Authors: Karunakaran Smitha
Published: January 2021

In this study we demonstrate that 2 month old APPswe/PS1dE9 mice, a transgenic model of Alzheimer’s disease, exhibited intact short-term memory in Pavlovian hippocampal—dependent contextual fear learning task. However, their long-term memory was impaired. Intra-CA1 infusion of isoproterenol hydrochloride, the β-adrenoceptor agonist, to the ventral hippocampus of APPswe/PS1dE9 mice immediately before fear conditioning restored long-term contextual fear memory. Infusion of the β-adrenoceptor agonist + 2.5 h after fear conditioning only partially rescued the fear memory, whereas infusion at + 12 h post conditioning did not interfere with long-term memory persistence in this mouse model. Furthermore, Intra-CA1 infusion of propranolol, the β-adrenoceptor antagonist, administered immediately before conditioning to their wildtype counterpart impaired long-term fear memory, while it was ineffective when administered + 4 h and + 12 h post conditioning. Our results indicate that, long-term fear memory persistence is determined by a unique β-adrenoceptor sensitive time window between 0 and + 2.5 h upon learning acquisition, in the ventral hippocampal CA1 of APPswe/PS1dE9 mice. On the contrary, β-adrenoceptor agonist delivery to ventral hippocampal CA1 per se did not enhance innate anxiety behaviour in open field test. Thus we conclude that, activation of learning dependent early β-adrenoceptor modulation underlies and is necessary to promote long-term fear memory persistence in APPswe/PS1dE9.
Modulation of cAMP metabolism for CFTR potentiation in human airway epithelial cells
Authors: Nguyen Jenny P. , Bianca Matthew , Huff Ryan D. , Tiessen Nicholas , Inman Mark D. , Hirota Jeremy A.
Published: January 2021

Cystic fibrosis (CF) is a genetic disease characterized by CF transmembrane regulator (CFTR) dysfunction. With over 2000 CFTR variants identified, in addition to known patient to patient variability, there is a need for personalized treatment. The discovery of CFTR modulators has shown efficacy in certain CF populations, however there are still CF populations without valid therapeutic options. With evidence suggesting that single drug therapeutics are insufficient for optimal management of CF disease, there has been an increased pursuit of combinatorial therapies. Our aim was to test cyclic AMP (cAMP) modulation, through ATP Binding Cassette Transporter C4 (ABCC4) and phosphodiesterase-4 (PDE-4) inhibition, as a potential add-on therapeutic to a clinically approved CFTR modulator, VX-770, as a method for increasing CFTR activity. Human airway epithelial cells (Calu-3) were used to test the efficacy of cAMP modulation by ABCC4 and PDE-4 inhibition through a series of concentration–response studies. Our results showed that cAMP modulation, in combination with VX-770, led to an increase in CFTR activity via an increase in sensitivity when compared to treatment of VX-770 alone. Our study suggests that cAMP modulation has potential to be pursued as an add-on therapy for the optimal management of CF disease.
Molecular dynamics study of the effect of extended ingrain defects on grain growth kinetics in nanocrystalline copper
Authors: Dremov Vladimir V. , Chirkov Pavel V. , Karavaev Alexey V.
Published: January 2021

The paper presents results of a large-scale classical molecular dynamics study into the effect of ingrain defects on the grain growth rate of face centered cubic nanocrystalline material under thermal annealing. To do this, two types of virtual MD samples are used. The samples of the first type are constructed artificially by filling Voronoi cells with atoms arranged in fcc lattice essentially with no ingrain defects. The other samples are obtained by natural crystallization from melted material and contain numerous extended ingrain defects. These samples with a high concentration of ingrain defects imitate nanocrystalline material produced by severe plastic deformation via high pressure torsion or equal channel angular extrusion. The samples of both types are subjected to long-time zero pressure isothermal annealing at $$T\approx 0.9T_m$$

T
≈
0.9

T
m

($$T_m$$

T
m

is melting temperature) which leads to grain coarsening due to recrystallization. Direct molecular dynamics simulations of the annealing of different samples show that at the same conditions recrystallization goes two times faster in the samples with a high concentration of extended ingrain defects than in the defect-free samples. That is, to increase the thermal stability of nanostructured material the technologies used for forming nanocrystalline structures should be developed so as to avoid the thermomechanical treatment regimes leading to the formation of structures with high concentration of ingrain defects.
Electro-catalytic amplified sensor for determination of N-acetylcysteine in the presence of theophylline confirmed by experimental coupled theoretical investigation
Authors: Keyvanfard Mohsen , Karimi-Maleh Hassan , Karimi Fatemeh , Opoku Francis , Kiarii Ephraim Muriithi , Govender Poomani Penny , Taghavi Mehdi , Fu Li , Aygun Aysenur , Sen Fatih
Published: January 2021

The 1,l/-bis(2-phenylethan-1-ol)ferrocene, 1-butyl-3-methylimidazolium hexafluoro phosphate (BMPF6) and NiO-SWCNTs were used to modify carbon paste electrode (BPOFc/BMPF6/NiO-SWCNTs/CPE), which could act as an electro-catalytic tool for the analysis of N-acetylcysteine in this work. The BPOFc/BMPF6/NiO-SWCNTs/CPE with high electrical conductivity showed two completely separate signals with oxidation potentials of 432 and 970 mV for the first time that is sufficient for the determination of N-acetylcysteine in the presence of theophylline. The BPOFc/BMPF6/NiO-SWCNTs/CPE showed linear dynamic ranges of 0.02–300.0 μM and 1.0–350.0 μM with the detection limit of ~ 8.0 nM and 0.6 μM for the measurement of N-acetylcysteine and theophylline, respectively. In the second part, understanding the nature of interaction, quantum conductance modulation, electronic properties, charge density, and adsorption behavior of N-acetylcysteine on NiO–SWCNTs surface from first-principle studies through the use of theoretical investigation is vital for designing high-performance sensor materials. The N-acetylcysteine molecule was chemisorbed on the NiO–SWCNTs surface by suitable adsorption energies (− 1.102 to − 5.042 eV) and reasonable charge transfer between N-acetylcysteine and NiO–SWCNTs.
Dense seismic arrays deny a massive magma chamber beneath the Taipei metropolis, Taiwan
Authors: Yeh Yu-Lien , Wang Wei-Hau , Wen Strong
Published: January 2021

Several recent studies suggest that the Tatun Volcano Group (TVG) in the Taipei metropolis of Taiwan is still active with a mappable magma chamber beneath it. Here we report new seismic evidence from dense seismic arrays in northern Taiwan to refute the presence of a massive magma chamber. We investigated two near Taipei earthquakes with focal depths of ~ 140 km. We found that all the waveforms exhibited distinct S waves even when they traversed across the previously postulated magma chamber. Instead, the S-wave shadows found in the previous study may result from seismic waves traveling through a magma diapir above the subducting Philippine Sea Plate offshore northern Taiwan. Moreover, we found the P-wave delay increased with hypocentral distance when the seismic waves propagated through the footwall (west side) of the Shanchiao fault, regardless of whether they traversed across the postulated magma chamber. Our study results also indicate no abnormal attenuation when seismic rays traversed across the postulated magma chamber. Furthermore, the average $${Q}_{P}/{Q}_{S}$$

Q
P

/

Q
S

ratio around the TVG is less than 1, which implies that scattering attenuation is dominant. We conclude that a highly fractured rock body is beneath the TVG with a tiny fraction of magma instead of a massive magma chamber. Without sufficient magma supply, the TVG may stay dormant (except for small phreatic eruptions).
Feasibility and initial experience of left radial approach for diagnostic neuroangiography
Authors: Chalouhi Nohra , Sweid Ahmad , Al Saiegh Fadi , Sajja Kalyan C. , Schmidt Richard F. , Avery Michael B. , Mouchtouris Nikolaos , Khanna Omaditya , Weinberg Joshua H. , Romo Victor , Tjoumakaris Stavropoula , Gooch Michael Reid , Herial Nabeel , Rosenwasser Robert H. , Jabbour Pascal
Published: January 2021

Neuroangiography has seen a recent shift from transfemoral to transradial access. In transradial neuroangiography, the right dominant hand is the main access used. However, the left side may be used specifically for left posterior circulation pathologies and when right access cannot be used. This study describes our initial experience with left radial access for diagnostic neuroangiography and assesses the feasibility and safety of this technique. We performed a retrospective review of a prospective database of consecutive patients between April 2018 and January 2020, and identified 20 patients whom a left radial access was used for neurovascular procedures. Left transradial neuroangiography was successful in all 20 patients and provided the sought diagnostic information; no patient required conversion to right radial or femoral access. Pathology consisted of anterior circulation aneurysms in 17 patients (85%), brain tumor in 1 patient (5%), and intracranial atherosclerosis disease involving the middle cerebral artery in 2 patients (10%). The left radial artery was accessed at the anatomic snuffbox in 18 patients (90%) and the wrist in 2 patients (10%). A single vessel was accessed in 7 (35%), two vessels in 8 (40%), three vessels in 4 (20%), and four vessels in 1 (5%). Catheterization was successful in 71% of the cases for the right internal carotid artery and in only 7.7% for the left internal carotid artery. There were no instances of radial artery spasm, radial artery occlusion, or procedural complications. Our initial experience found the left transradial access to be a potentially feasible approach for diagnostic neuroangiography even beyond the left vertebral artery. The approach is strongly favored by patients but has significant limitations compared with the right-sided approach.
Novel globular C1q domain-containing protein (PmC1qDC-1) participates in shell formation and responses to pathogen-associated molecular patterns stimulation in Pinctada fucata martensii
Authors: Xiong Xinwei , Li Chuyi , Zheng Zhe , Du Xiaodong
Published: January 2021

The C1q protein, which contains the globular C1q (gC1q) domain, is involved in the innate immune response, and is found abundantly in the shell, and it participates in the shell formation. In this study, a novel gC1q domain-containing gene was identified from Pinctada fucata martensii (P. f. martensii) and designated as PmC1qDC-1. The full-length sequence of PmC1qDC-1 was 902 bp with a 534 bp open reading frame (ORF), encoding a polypeptide of 177 amino acids. Quantitative real-time PCR (qRT-PCR) result showed that PmC1qDC-1 was widely expressed in all tested tissues, including shell formation-associated tissue and immune-related tissue. PmC1qDC-1 expression was significantly high in the blastula and gastrula and especially among the juvenile stage, which is the most important stage of dissoconch shell formation. PmC1qDC-1 expression was located in the outer epithelial cells of mantle pallial and mantle edge and irregular crystal tablets were observed in the nacre upon knockdown of PmC1qDC-1 expression at mantle pallial. Moreover, the recombined protein PmC1qDC-1 increased the rate of calcium carbonate precipitation. Besides, PmC1qDC-1 expression was significantly up-regulated in the mantle pallial at 6 h and was significantly up-regulated in the mantle edge at 12 h and 24 h after shell notching. The expression level of PmC1qDC-1 in mantle edge was significantly up-regulated at 48 h after LPS stimulation and was significantly up-regulated at 12 h, 24 h and 48 h after poly I:C stimulation. Moreover, PmC1qDC-1 expression was significantly up-regulated in hemocytes at 6 h after lipopolysaccharide (LPS) and poly I:C challenge. These findings suggest that PmC1qDC-1 plays a crucial role both in the shell formation and the innate immune response in pearl oysters, providing new clues for understanding the shell formation and defense mechanism in mollusk.
Development and implementation of SafeMedWaste, a chemical denaturant for non-hazardous disposal of controlled medications
Authors: Leishman Emma , Wang Yizhong , Channu Reddy , Boyst Evan , Hartmann Marshall , Stas Justin
Published: January 2021

Substance use disorders are a significant public health issue. Options to dispose of controlled medications are limited, increasing the risk of diversion. Providing an alternative for disposal, a chemical denaturant, SafeMedWaste, was designed to destroy controlled substances irreversibly and safely be placed in non-hazardous landfills. Via HPLC–MS, four formulations of SafeMedWaste were tested with 34 different liquid controlled medications from DEA schedules I–V. Beta testing assessed the efficacy of SafeMedWaste in a clinical setting and on waste generated in a manufacturing setting. Furthermore, a formulation of SafeMedWaste was tested on solid controlled medications. All 34 of the liquid medications tested (e.g., amphetamine, diazepam, fentanyl, ketamine) were fully destroyed in SafeMedWaste within 2–24 h. Analysis of a beta test sample of SafeMedWaste containing fentanyl, midazolam, and morphine waste collected in a hospital showed full denaturation of these drugs in 24 h. Variants of SafeMedWaste were optimized to denature six different controlled substance waste samples from a manufacturing facility. In contrast to side-by-side studies with a charcoal disposal system using the same drugs, SafeMedWaste fully inactivated and destroyed the controlled substances in the waste streams. Another formulation of SafeMedWaste was tested on solid medications, which were fully denatured in 48–72 h. In conclusion, SafeMedWaste irreversibly denatures controlled medications that present a problem in our society.
Adverse outcomes associated with the treatment of Toxoplasma infections
Authors: Shammaa Ahmed M. , Powell Thomas G. , Benmerzouga Imaan
Published: January 2021

Adverse outcomes associated with the treatment of Toxoplasma gondii infections in patients with various health backgrounds have not been characterized. The aim of this study was to identify the adverse outcomes and adverse events associated with the current clinical treatments of Toxoplama gondii infections using real world data reported to the FDA adverse event reporting system (FAERS). Data submitted to FAERS between 2013 and 2019 was retrieved and analyzed. Reporting odds ratio of death was calculated for the drugs having ≥ 25 reports of adverse outcomes. The adverse event profiles for the same drugs were analyzed and the reporting odds ratio was calculated relative to all other drugs used in the treatment of Toxoplasma infections. There were 503 cases reporting the treatment of Toxoplasma infections in the FAERS database. Death (DE) was the adverse outcome in 102 reports, of which 23 (22.5%) anti-Toxoplasma drugs were listed as the primary suspect drug (PS). Clindamycin (2.04; 1.07–3.90) followed by pyrimethamine (1.53; 0.99–2.36) were the most likely to be associated with death. Adverse events analysis suggest that sulfonamides formulations may have a less favorable safety profile. Our study represents the first real-world analysis of adverse outcomes and events associated with the treatment of Toxoplasma infections. Our findings support the need to better understand the current first-line agents for Toxoplasma infections, in addition to underscoring the need to identify safer regimens.
Machine learning for pattern and waveform recognitions in terahertz image data
Authors: Bulgarevich Dmitry S. , Talara Miezel , Tani Masahiko , Watanabe Makoto
Published: January 2021

Several machine learning (ML) techniques were tested for the feasibility of performing automated pattern and waveform recognitions of terahertz time-domain spectroscopy datasets. Out of all the ML techniques under test, it was observed that random forest statistical algorithm works well with the THz datasets in both the frequency and time domains. With such ML algorithm, a classifier can be created with less than 1% out-of-bag error for segmentation of rusted and non-rusted sample regions of the image datasets in frequency domain. The degree of linear correlation between the rusted area percentage and the image spatial resolution with terahertz frequency can be used as an additional cross-validation criteria for the evaluation of classifier quality. However, for different rust staging measured datasets, a standardized procedure of image pre-processing is necessary to create/apply a single classifier and its usage is only limited to 1 ± 0.2 THz. Moreover, random forest is practically the best choice among the several popular ML techniques under test for waveform recognition of time-domain data in terms of classification accuracy and timing. Our results demonstrate the usefulness of random forest and several other machine learning algorithms for terahertz hyperspectral pattern recognition.
Formation and annihilation of stressed deformation twins in magnesium
Authors: Louca Karim , Abdolvand Hamidreza , Mareau Charles , Majkut Marta , Wright Jonathan
Published: January 2021

The mechanical response of polycrystalline materials to an externally applied load and their in-service performance depend on the local load partitioning among the constituent crystals. In hexagonal close-packed polycrystals such load partitioning is significantly affected by deformation twinning. Here we report in-situ compression-tension experiments conducted on magnesium specimens to measure the evolution of grain resolved tensorial stresses and formation and annihilation of twins. More than 13000 grains and 1300 twin-parent pairs are studied individually using three-dimensional synchrotron X-ray diffraction. It is shown that at the early stages of plasticity, the axial stress in twins is higher than that of parents, yet twins relax with further loading. While a sign reversal is observed for the resolved shear stress (RSS) acting on the twin habit plane in the parent, the sign of RSS within the majority of twins stays unchanged until twin annihilation during the load reversal. The variations of measured average stresses across parents and twins are also investigated.
In vitrovascularization of tissue engineered constructs by non-viral delivery of pro-angiogenic genes
Authors: Moreira Helena R. , Raftery Rosanne M. , da Silva Lucília P. , Cerqueira Mariana T. , Reis Rui L. , Marques Alexandra P. , O'Brien Fergal J.
Published: January 2021

The angiogenic capacity of fibroblasts is maximized through the deliver of plasmids and release of angiogenic proteins. Consequentially, endothelial cells proliferate and organize, demonstrating the potential of the system where vascularization is required.
Rapid conversion of highly porous borate glass microspheres into hydroxyapatite
Authors: Islam Md Towhidul , Macri-Pellizzeri Laura , Sottile Virginie , Ahmed Ifty
Published: January 2021

This paper reports on the rapid development of porous hydroxyapatite (HA) microspheres with large external pores and fully interconnected porosity.
UCPs/Zn2GeO4:Mn2+/g-C3N4 heterojunction engineered injectable thermosensitive hydrogel for oxygen independent breast cancer neoadjuvant photodynamic therapy
Authors: Zhang Linchao , Yang Manli , Ji Yishun , Xiao Kefeng , Shi Jinsheng , Wang Lili
Published: January 2021

Neoadjuvant chemotherapy for the treatment of breast cancer can provide the option of surgery for patients with a large tumor mass or increase the rate of breast conservation.
Multifunctional l-arginine-based magnetic nanoparticles for multiple-synergistic tumor therapy
Authors: Yang Haiyan , Jiang Fujie , Zhang Liang , Wang Lu , Luo Yong , Li Ningshan , Guo Yu , Wang Qi , Zou Jianzhong
Published: January 2021

HIFU-responsive magnetically targeted Fe3O4@PLGA/LA NPs for MR/FL/PA/US imaging-guided multiple-synergistic tumor therapy.
Intradermal administration of green synthesized nanosilver (NS) through film-coated PEGDA microneedles for potential antibacterial applications
Authors: Gao Ya , Zhang Wei , Cheng Yan Fang , Cao Yang , Xu Zhigang , Xu Li Qun , Kang Yuejun , Xue Peng
Published: January 2021

Film-coated PEGDA microneedles were developed for rapid intradermal delivery of nanosilvers for antibacterial applications.
The pursuit of mechanism of action: uncovering drug complexity in TB drug discovery
Authors: Yuan Tianao , Werman Joshua M. , Sampson Nicole S.
Published: January 2021

The tools that have been successfully employed to understand the mechanism of action of TB therapeutics are discussed to offer insights into the future of mechanistic assessment in M. tuberculosis.
Synthetic ferripyrophyllite: preparation, characterization and catalytic application
Authors: Qiao Yunxiang , Theyssen Nils , Spliethoff Bernd , Folke Jan , Weidenthaler Claudia , Schmidt Wolfgang , Prieto Gonzalo , Ochoa-Hernández Cristina , Bill Eckhard , Ye Shengfa , Ruland Holger , Schüth Ferdi , Leitner Walter
Published: January 2021

The synthesis of an iron(iii) silicate with a Si-to-Fe ratio of 2 : 1 and an ultrathin 2D nanosheet morphology is described. The produced phyllosilicate shows high thermal stability and promising properties for catalytic applications.
A side-on Mn(iii)–peroxo supported by a non-heme pentadentate N3Py2ligand: synthesis, characterization and reactivity studies
Authors: Narulkar Dattaprasad D. , Ansari Azaj , Vardhaman Anil Kumar , Harmalkar Sarvesh S. , Lingamallu Giribabu , Dhavale Vishal M. , Sankaralingam Muniyandi , Das Sandip , Kumar Pankaj , Dhuri Sunder N.
Published: January 2021

A new non-heme Mn(iii)–peroxo (1a) has been generated, characterized and reactivity is in aldehyde deformylation reaction. A nucleophilic reactivity of 1a in aldehyde oxidation is proposed.
Manganese dioxide nanosheet coated carbon cloth as a multifunctional interlayer for advanced lithium–sulfur batteries
Authors: Liu Huayun , Cheng Hao , Jin Han , Gao Cheng , Zhang Peng , Wang Miao
Published: January 2021

Manganese dioxide nanosheet coated braided structure carbon cloth as a multifunctional interlayer for advanced lithium–sulfur batteries.
Structure guided generation of thieno[3,2-d]pyrimidin-4-amine Mycobacterium tuberculosis bd oxidase inhibitors
Authors: Hopfner Sarah M. , Lee Bei Shi , Kalia Nitin P. , Miller Marvin J. , Pethe Kevin , Moraski Garrett C.
Published: January 2021

Screening for inhibitors of Cyt-bd in Mycobacterium bovis BCG and Mycobacterium tuberculosis revealed thieno[3,2-d]pyrimidine (7) which through SAR efforts resulted in an improved analogue (19) of this scaffold.
Second-generation tricyclic pyrimido-pyrrolo-oxazine mTOR inhibitor with predicted blood–brain barrier permeability
Authors: Borsari Chiara , Keles Erhan , Treyer Andrea , De Pascale Martina , Hebeisen Paul , Hamburger Matthias , Wymann Matthias P.
Published: January 2021

Here we present the first pyrimido-pyrrolo-oxazine-based mTOR kinase inhibitor (11) predicted to penetrate the blood brain barrier (BBB). Thus, 11 has a potential in treatments of neurological disorders.
Approach to tune drug release in particles fabricated from methacrylate functionalized polylactides
Authors: Shavkuta Boris , Bardakova Kseniia , Khristidis Yana , Minaev Nikita V. , Frolova Anastasia , Kotova Svetlana , Aksenova Nadezhda , Heydari Zahra , Semenova Elena , Khlebnikova Tatyana , Golubeva Elena N. , Kostjuk Sergei , Vosough Massoud , Timashev Peter S. , Shpichka Anastasia I.
Published: January 2021

Different particles' mechanical properties and surface topography that significantly influenced the degradation rate, drug loading, and release.
Generation of particle assemblies mimicking enzymatic activity by processing of herbal food: the case of rhizoma polygonati and other natural ingredients in traditional Chinese medicine
Authors: Benassi Enrico , Fan Haiyan , Sun Qinglei , Dukenbayev Kanat , Wang Qian , Shaimoldina Ainur , Tassanbiyeva Aigerim , Nurtay Lazzat , Nurkesh Ayan , Kutzhanova Aidana , Mu Chenglin , Dautov Adilet , Razbekova Madina , Kabylda Anar , Yang Qing , Li Ziye , Amin Amr , Li Xugang , Xie Yingqiu
Published: January 2021

Processing of rhizoma polygonati-tai (huangjing-tai) or other herbs produces nanoparticle assemblies with enzyme activity, referred to as herbzymes.
Pt-Catalyzed selective oxidation of alcohols to aldehydes with hydrogen peroxide using continuous flow reactors
Authors: Kon Yoshihiro , Nakashima Takuya , Yada Akira , Fujitani Tadahiro , Onozawa Shun-ya , Kobayashi Shū , Sato Kazuhiko
Published: January 2021

Pt-catalyzed continuous flow synthesis of aldehydes from alcohols has been developed, in which various aldehydes for obtaining valuable fine chemicals were given in up to 98% yields for over 5 days by using hydrogen peroxide as an oxidant.
Probing the anomeric effect and mechanism of isomerization of oxazinane rings by DFT methods
Authors: Tsipis Constantinos A. , Bakalbassis Evangelos G. , Zisopoulou Stavroula A. , Gallos John K.
Published: January 2021

Oxazinane rings can undergo isomerization or transformation to 5-membered rings tuned by the anomeric effect.
Palladium mediated one-pot synthesis of 3-aryl-cyclohexenones and 1,5-diketones from allyl alcohols and aryl ketones
Authors: Samser Shaikh , Biswal Priyabrata , Meher Sushanta Kumar , Venkatasubbaiah Krishnan
Published: January 2021

Synthetically important 3-aryl substituted cyclohexenones or 1,5-diketones were prepared from arylketones and allyl alcohols using a palladium-BINOL phosphoric acid system.
Scattering-mediated photothermal heating in plasmonic PES/Au membranes for heterogeneous catalysis
Authors: Song Chang Hyeon , Zakia Maulida , Lee Geon Seok , Il Yoo Seong
Published: January 2021

Scattering-mediated photothermal process in the PES/Au membranes enabled local temperature heating inside the composite membrane to accelerate the kinetics of a model chemical reaction.
Structure–property–function relationship of fluorescent conjugated microporous polymers
Authors: Bai M. G. Monika , Babu H. Vignesh , Lakshmi V. , Rao M. Rajeswara
Published: January 2021

Fluorescent porous organic polymers are a unique class of materials owing to their strong aggregation induced emission, long range exciton migration and permanent porosity, thus envisioned to possess a wide range of applications (sensing, OLEDs).
Near infrared emitting molecular rotor based on merocyanine for probing the viscosity of cellular lipid environments
Authors: Mukherjee Tarushyam , Martinez-Sanchez Ramon J. , Fam Kyong T. , Bou Sophie , Richert Ludovic , Garnier Delphine , Mély Yves , Kanvah Sriram , Klymchenko Andrey S. , Collot Mayeul
Published: January 2021

We synthesized and characterized the photophysical properties of new non-charged merocyanines. Among them, MC-TB was shown to be a bright and efficient fluorogenic molecular rotor able to probe the viscosity of lipid droplets and mitochondria.
A brief review on novel pyrene based fluorometric and colorimetric chemosensors for the detection of Cu2+
Authors: Kowser Zannatul , Rayhan Ummey , Akther Thamina , Redshaw Carl , Yamato Takehiko
Published: January 2021

This review article provides a detailed overview of pyrene containing colorimetric and fluorometric chemosensors based on different binding mechanisms which fulfill the criteria of affinity, selectivity and sensitivity.
A PEGylated N-heterocyclic carbene-gold(i) complex: an efficient catalyst for cyclization reaction in water
Authors: Lin Bijin , Zhang Xumu , Zhou Cong-Ying , Che Chi-Ming
Published: January 2021

A recyclable, PEGylated N-heterocyclic carbene(NHC)–gold(i) catalyst was synthesized, which exhibited high reactivity and regio-selectivity in the cyclization of alkynoic acids and cascade reaction of tryptamine and alkynoic acids in water.
Enhanced ferroelectric and piezoelectric performance of (Ba0.85Ca0.15)(Zr0.1Ti0.9)O3 lead-free ceramics upon Ce and Sb co-doping
Authors: Zheng Weijie , Lin Jiaqi , Liu Xinmei , Yang Wenlong , Li Yuanshuo
Published: January 2021

(Ba0.85Ca0.15)(Zr0.1Ti0.9−xCex)O3+ySb ceramics prepared by the conventional solid-state reaction.
Computational modelling of adsorption and diffusion properties of CO2 and CH4 in ZIF-8 for gas separation applications: a density functional theory approach
Authors: Paudel Hari P. , Shi Wei , Hopkinson David , Steckel Janice A. , Duan Yuhua
Published: January 2021

Understanding of zeolitic imidazolate framework-8 (ZIF-8) interaction with different gas molecules is crucial when ZIF-8 is used in gas separation.
Role of the spacer cation in the growth and crystal orientation of two-dimensional perovskites
Authors: Parikh Nishi , Tavakoli Mohammad Mahdi , Pandey Manoj , Kalam Abul , Prochowicz Daniel , Yadav Pankaj
Published: January 2021

The impact of organic spacer cations on controlling the growth and crystal orientation of two dimensional halide perovskite thin films is discussed along with the mechanism for obtaining vertical orientation.
Electrostatic wrapping of a microfiber around a curved particle
Authors: Nunes Janine K. , Li Jiang , Griffiths Ian M. , Rallabandi Bhargav , Man Jia , Stone Howard A.
Published: January 2021

Using experiments and modeling, we study the spontaneous wrapping of a negatively charged microfiber around a positively charged disk-shaped particle immersed in a liquid.
Integration of catalytic capability and pH-responsive wettability in a VxOy-based dual-mesh system: towards solving the trade-off between the separation flow rate and degradation efficiency
Authors: Liu Ya'nan , Qu Ruixiang , Li Xiangyu , Zhai Huajun , Zhao Shuaiheng , Wei Yen , Feng Lin
Published: January 2021

A catalysis mesh and pH-responsive wettability mesh composite system has been applied for fast separation of oil/water mixtures and full degradation of water-soluble pollutants in situ.
Solution-processed organic semiconductor crystals for field-effect transistors: from crystallization mechanism towards morphology control
Authors: Chen Shengnan , Li Zheng , Qiao Yali , Song Yanlin
Published: January 2021

The recent progress in crystallization mechanisms of organic semiconductor crystals and the morphology control strategies associated with the crystallization behaviors are summarized in this review.
Dopant site-dependent luminescence from rare-earth doped dibarium octafluorohafnate Ba2HfF8 nanocubes for radiation detection
Authors: Kumar Vineet , George Gibin , Hayes Jacob I. , Lin Yulin , Guzelturk Burak , Wen Jianguo , Luo Zhiping
Published: January 2021

Rare-earth doped Ba2HfF8 nanocubes as a new scintillator host material with crystallographic site-dependent luminescence for radiation detection.
Non-fullerene-based organic photodetectors for infrared communication
Authors: Babics Maxime , Bristow Helen , Zhang Weimin , Wadsworth Andrew , Neophytou Marios , Gasparini Nicola , McCulloch Iain
Published: January 2021

We developed a new non-fullerene acceptor with high responsivity in the near infrared and demonstrated its potential for infrared communication.
Molecular doping of near-infrared organic photodetectors for photoplethysmogram sensors
Authors: Wang Binghao , Scaccabarozzi Alberto D. , Wang Haoyang , Koizumi Mari , Nugraha Mohamad Insan , Lin Yuanbao , Firdaus Yuliar , Wang Yan , Lee Sunghoon , Yokota Tomoyuki , Anthopoulos Thomas D. , Someya Takao
Published: January 2021

This study introduces three different molecular dopants for near-infrared organic photodetectors. The doped organic photodetectors exhibit low dark current, high detectivity and good environmental stability, and can be used for pulse rate monitoring.
Efficient tuning of the conversion from ISC to high-level RISC via adjusting the triplet energies of charge-transporting layers in rubrene-doped OLEDs
Authors: Tang Xiantong , Zhao Xi , Zhu Hongqiang , Tu Linyao , Ma Caihong , Wang Ying , Ye Shengnan , Xiong Zuhong
Published: January 2021

Charge-transporting layers with different triplet energies can efficiently tune the conversion from intersystem crossing to high-level reverse intersystem crossing processes in rubrene-doped OLEDs.
Correction: Ultra-fast synthesis of water soluble MoO3−x quantum dots with controlled oxygen vacancies and their near infrared fluorescence sensing to detect H2O2
Authors: Zhong Shichuan , Xing Changchang , Cao An , Zhang Tao , Li Xuejiao , Yu Jie , Cai Weiping , Li Yue
Published: January 2021

Correction for ‘Ultra-fast synthesis of water soluble MoO3−x quantum dots with controlled oxygen vacancies and their near infrared fluorescence sensing to detect H2O2’ by Shichuan Zhong et al., Nanoscale Horiz., 2020, 5, 1538–1543, DOI: 10.1039/D0NH00394H.
Chemical analysis of early-type stars with planets
Authors: Saffe C. , Miquelarena P. , Alacoria J. , Flores M. , Jaque Arancibia M. , Calvo D. , Martín Girardi G. , Grosso M. , Collado A.
Published: January 2021

Aims. Our goal is to explore the chemical pattern of early-type stars with planets, searching for a possible signature of planet formation. In particular, we study a likely relation between the λ Boötis chemical pattern and the presence of giant planets.

Methods. We performed a detailed abundance determination in a sample of early-type stars with and without planets via spectral synthesis. Fundamental parameters were initially estimated using Strömgren photometry or literature values and then refined by requiring excitation and ionization balances of Fe lines. We derived chemical abundances for 23 different species by fitting observed spectra with an iterative process. Synthetic spectra were calculated using the program SYNTHE together with local thermodynamic equilibrium ATLAS12 model atmospheres. We used specific opacities calculated for each star, depending on the individual composition and microturbulence velocity vmicro through the opacity sampling method. The complete chemical pattern of the stars were then compared to those of λ Boötis stars and other chemically peculiar stars.

Results. We compared the chemical pattern of the stars in our sample (13 stars with planets and 24 stars without detected planets) with those of λ Boötis and other chemically peculiar stars. We have found four λ Boötis stars in our sample, two of which present planets and circumstellar disks (HR 8799 and HD 169142) and one without planets detected (HD 110058). We have also identified the first λ Boötis star orbited by a brown dwarf (ζ Del). This interesting pair, the λ Boötis star and brown dwarf, could help to test stellar formation scenarios. We found no unique chemical pattern for the group of early-type stars bearing giant planets. However, our results support, in principle, a suggested scenario in which giant planets orbiting pre-main-sequence stars possibly block the dust of the disk and result in a λ Boötis-like pattern. On the other hand, we do not find a λ Boötis pattern in different hot-Jupiter planet host stars, which does not support the idea of possible accretion from the winds of hot-Jupiters, recently proposed in the literature. As a result, other mechanisms should account for the presence of the λ Boötis pattern between main-sequence stars. Finally, we suggest that the formation of planets around λ Boötis stars, such as HR 8799 and HD 169142, is also possible through the core accretion process and not only gravitational instability.
Influencing factors and mechanisms involved in the ignition of low-rank coal: Implications for spontaneous combustion
Authors: Zhang Yueling , Ma Shengyue , Xiao Jing , Tian Yajun , Xie Kechang
Published: January 2021

Understanding the ignition mechanism of spontaneous combustion is critical for preventing it. In this work, the effects of different test conditions including oxygen concentration, heating rate, oxidation carrier gas flow rate, and sample amount on the ignition temperature were studied with a thermal gravimetric analyzer. Further, the effects of coal properties on the ignition temperature were also investigated using 15 different low-rank coals. A heterogenous ignition model was proposed that small amount of active species is the key material leading to ignition. The heterogenous ignition mechanism well explained the complex effects of test conditions and coal properties on the ignition temperature of low-rank coal. Finally, an empirical formula for predicting the ignition temperature was derived for the rapid assessment of the spontaneous combustion potential.
Taxes versus standards in a mixed economy
Authors: Zeng Bingxin , Dai Gaoqi , Liu Jin
Published: January 2021

Governments have recently become increasingly concerned about environmental policy choice in a mixed economy because many countries are mixed economies where public and private firms engage in the output market. This paper provides an analytical framework to compare emission taxes and emission standards in a mixed economy. Through theoretical analysis and numerical example, two main conclusions are drawn. First, the ranking of emission taxes and standards in the aspect of bringing about greater social welfare depends on the policy stringency. More specifically, for high levels of environmental stringency, taxes yield a greater social welfare than the standards regulation does, while the opposite conclusion holds for low levels of environmental stringency. Second, the total production level under emission taxes is always larger than under emission standards. Our findings provide important implications for the policy choice and design in a mixed economy.
Laparoscopic hepatectomy for the treatment of hepatic alveolar echinococcosis
Authors: Wan Li , Ran Bo , Aji Tuerganaili , Shalayiadang Paizula , Jiang Tiemin , Shao Yingmei , Wen Hao
Published: January 2021

Background: At present, laparoscopy is relatively mature as a minimally invasive technique, but there are few reports on this approach for the radical treatment of hepatic alveolar echinococcosis (AE). In this study, we aimed to evaluate the safety and feasibility of laparoscopic hepatectomy (LH) for AE treatment. Results: A retrospective review of medical records obtained from 13 patients diagnosed with AE between January 2018 and December 2019 and treated with laparoscopic hepatectomy was conducted at the First Affiliated Hospital of Xinjiang Medical University. All patients (n = 13) underwent hepatic resection using laparoscopy and none were transferred to open surgery. The average duration of surgery was 285 min (145–580 min). Intraoperative bleeding was 305 mL (20–2000 mL). The mean duration of postoperative catheterization was 6.9 days (3–21 days), and postoperative hospital stay was 7.2 days (4–14 days). No complication of Clavien-Dindo grade III or above occurred, except for the second patient with acute liver failure post-surgically. No recurrences or deaths were observed at 9–30 months of follow-up. Conclusions: Laparoscopic hepatectomy appears to be safe and effective in selected AE patients. The advantages of this technique for AE treatment need to be further compared with the classical open approach.
Effect of the COVID-19 global pandemic on tourists’ preferences and marketing mix of accommodation facilities – case study from Czech Republic
Authors: Dušek Radim , Sagapova Nikola
Published: January 2021

Research background:Two related effects of the COVID-19 global pandemic on tourism and hospitality in the Czech Republic are already evident for the upcoming summer months. In the first place, it is the effect on the Czech tourists’ preferences. The pandemic forced them to reconsider their plans and, as a result, it is evident that more tourists will spend summer only in the Czech Republic. This change in preferences is connected with a second effect, concerning the strategies of the domestic accommodation facilities - their managers should adapt marketing mix to meet the demand of Czech clients, because unlike the previous years, these tourists will become their main target group.

Purpose of the article:The aim of the paper is to identify the preferences for summer holiday in 2020 of the Czech tourists who have decided to spend summer holiday only in the Czech Republic because of the COVID-19 global pandemic as well as to find out their wants in terms of accommodation facilities’ marketing mix.

Methods:During spring 2020, a survey of 637 respondents was conducted to determine the preferences of the Czech tourists for summer holiday in 2020. This paper is focused on the analysis of data from respondents who decided to spend this year’s summer holiday only in the Czech Republic (a total of 202 respondents).

Findings & Value added:Based on the results, we will define findings for accommodation facilities regarding the possible update of marketing mix to meet the actual demand of Czech tourists.