bluuebunny/crossref_metadata_2025 huggingface dataset:
US experience with futures transaction taxes
Authors: Mixon Scott
Published: October 2021

The transaction tax on futures reduced trading volume during the 1920s and 1930s but had no apparent effect on volatility or open interest. The relative magnitude of the tax was highest for intermediaries and appears to have substantially reduced intra‐day trading, but it did not dramatically affect hedging activity or the level of cash or futures prices. Pit traders were particularly distressed by a 400% increase in the tax rate in 1932 and effectively widened spreads by avoiding trades at the minimum price increment. This doubling of the minimum tick size was formally implemented in exchange rules 1 year later.
Multidirectional facets of obesity management in the metabolic syndrome population after liver transplantation
Authors: Czarnecka Kinga , Czarnecka Paulina , Tronina Olga , Bączkowska Teresa , Durlik Magdalena
Published: October 2021

The obesity pandemic has resulted in an increasing demand for liver transplantation and has significantly altered the profile of liver transplant candidates in addition to affecting posttransplantation outcomes. In this review, we discuss a broad range of clinical approaches that warrant attention to provide comprehensive and patient‐centred medical care to liver transplant recipients, and to be prepared to confront the rapidly changing clinical challenges and ensuing dilemmas. Adipose tissue is a complex and metabolically active organ. Visceral fat deposition is a key predictor of overall obesity‐related morbidity and mortality. Limited pharmacological options are available for the treatment of obesity in the liver transplant population. Bariatric surgery may be an alternative in eligible patients. The rapidly increasing prevalence of nonalcoholic fatty liver disease (NAFLD) is a global concern; NAFLD affects both pre‐ and posttransplantation outcomes. Numerous studies have investigated pharmacological and nonpharmacological management of NAFLD and some of these have shown promising results. Liver transplant recipients are constantly exposed to numerous factors that result in intestinal microbiota alterations, which were linked to the development of obesity, diabetes type 2, metabolic syndrome (MS), NAFLD, and hepatocellular cancer. Microbiota modifications with probiotics and prebiotics bring gratifying results in the management of metabolic complications. Fecal microbiota transplantation (FMT) is successfully performed in many medical indications. However, the safety and efficacy profiles of FMT in immunocompromised patients remain unclear. Obesity together with immunosuppressive treatment, may affect the pharmacokinetic and/or pharmacodynamic properties of coadministered medications. Individualized immunosuppressive regimens are recommended following liver transplantation to address possible metabolic concerns. Effective and comprehensive management of metabolic complications is shown to yield multiple beneficial results in the liver transplant population and may bring gratifying results in improving long‐term survival rates.
Organic π‐Conjugated Molecules: From Nature to Artificial Applications. Where are the Boundaries?
Authors: Cigánek Martin , Richtár Jan , Weiter Martin , Krajčovič Jozef
Published: October 2021

Natural or nature‐inspired molecules play a key role in many modern applications as they may imitate nature in the efficiency with which it works in a different spectrum of biological processes. One of the biggest challenges today is to make efficient use of renewable energy sources, that are lagging behind conventional technologies on a global scale. One form of this renewable energy is solar energy which can be garnered by organic photovoltaics (OPV). The golden wave of OPV can be observed with the advent of non‐fullerene acceptors (NFAs). Chemical derivatizations, low band gap, broad absorption and sufficient stability, predetermine them for the successful construction of functional devices. The review summarizes some important aspects of the use of natural and nature‐inspired materials, their design, and use for NFAs, and light power conversion efficiency. We also discuss some photocatalytic applications as a contribution to green renewable energy and solar‐fuels production.
Electrospinning of cyanoacrylate tissue adhesives for human dural repair in endonasal surgery
Authors: Campbell Brooke , Anderson Zoe , Han Daewoo , Nebor Ivanna , Forbes Jonathan , Steckl Andrew J.
Published: October 2021

Cerebral spinal fluid (CSF) leakage is a major postoperative complication requiring surgical intervention, resulting in prolonged healing and higher costs. Biocompatible polymers, such as cyanoacrylates, are currently used as tissue adhesives for closing surgical defects and incisions. Coupling these polymers with nanofiber technology shows promising results for generating nanofibers used in wound care, tissue engineering, and drug delivery. Fiber membranes formed by electrospinning of n‐octyl‐2‐cyanoacrylate (NOCA) are investigated for in situ dural closures after neurosurgery to improve the quality of the closure and prevent post‐surgical CSF leaks. Electrospun NOCA fiber membranes showed significantly higher sealing capabilities of defects in human dura, with an average burst pressure of 149 mmHg, compared with that of an FDA‐approved common dural sealant that had an average burst pressure of 37 mmHg. In this study, microfabrication of NOCA fibers demonstrates a promising technique for dural repairs.
Adaptive investigation of the optical properties of polymer fibers from mixing noisy phase shifting microinterferograms using deep learning algorithms
Authors: Abo‐Lila Gehad , Sokkar Taha , Seisa Eman , Omar Emam
Published: October 2021

In this article, an adaptive denoising method is suggested to accurate investigate the optical and structural features of polymeric fibers from noisy phase shifting microinterferograms. The mixed class of noise that may produce in the phase‐shifting interferometric techniques is established. To our knowledge, this is an early study considered the mixing noises that may occur in microinterferograms. The suggested method utilized the convolution neural networks to detect the noise class and then denoising, it according to its class. Four convolution neural networks (Googlenet, VGG‐19, Alexnet, and Alexnet–SVM) are refined to perform the automatic classification process for the noise class in the established data set. The network with the highest validation and testing accuracy of these networks is considered to apply the suggested method on realistic noisy microinterferograms for polymeric fibers, polypropylene and antimicrobial polyethylene terephthalate)/titanium dioxide, recoded using interference microscope. Also, the suggested method is applied on noisy microinterferograms include crazing and nanocomposite material. The demodulated phase maps and the three‐dimensional birefringence profiles are calculated for tested fibers according to the suggested method. The obtained results are compared with the published data for these fibers and found to be in good agreements.
Poor oral hygiene behavior is associated with an increased risk of gastric cancer: A population‐based case‐control study in China
Authors: Zhang Tongchao , Yang Xiaorong , Yin Xiaolin , Yuan Ziyu , Chen Hui , Jin Li , Chen Xingdong , Lu Ming , Ye Weimin
Published: October 2021

Background

Poor oral health may be a significant risk factor for gastric cancer (GC); however, previous results are not consistent. Here, we investigated the effect of oral health on GC and effect modification by other factors.

Methods

We conducted a population‐based case‐control study in Taixing, China. Participants aged between 40 and 85 years and who had lived in Taixing for at least 5 years were included. The GC cases were confirmed by endoscopy and pathological diagnosis, and the controls were randomly selected using the frequency‐matching method. Unconditional logistic regression models were used to derive odds ratios (ORs) and 95% confidence intervals (CIs) of oral health for GC risk after adjusting for confounders and risk factors.

Results

Overall, 901 GC cases and 1972 controls were included. Tooth loss was not significantly associated with an increased risk of GC (yes vs. no, OR = 1.08, 95% CI 0.88 to 1.33). Compared with toothbrushing at least twice per day, toothbrushing once per day or less was associated with an increased risk of GC (OR = 2.39, 95% CI 1.94 to 2.94), and was more pronounced in esophagogastric junction cancer and intestinal‐type GC. There was no significant interaction between the indicators of oral health and age, sex, tobacco smoking, alcohol drinking, and Helicobacter pylori seropositivity.

Conclusion

Poor oral hygiene behavior is associated with an increased risk of GC, and this positive association is consistent across all GC subgroups classified by anatomy and histology. Further studies are needed to explore the possible mechanisms behind this association.
Rapalogs induce non‐apoptotic, autophagy‐dependent cell death in HPV‐negative TP53 mutant head and neck squamous cell carcinoma
Authors: Alam Md Maksudul , Marin Fermin Janmaris , Spiller Patrick T. , Burnett Chaning , Rong Xiaohua , Moore‐Medlin Tara , Maxwell Caden O. , Khandelwal Alok R. , Nathan Cherie‐Ann O.
Published: October 2021

TP53 is the most frequently mutated gene in head and neck squamous cell carcinoma (HNSCC). Patients with HPV‐negative TP53 mutant HNSCC have the worst prognosis, necessitating additional agents for treatment. Since mutant p53 causes sustained activation of the PI3K/AKT/mTOR signaling pathway, we investigated the effect of rapalogs RAD001 and CCI‐779 on HPV‐negative mutTP53 HNSCC cell lines and xenografts. Rapalogs significantly reduced cell viability and colony formation. Interestingly, rapalogs‐induced autophagy with no effect on apoptosis. Pretreatment with autophagy inhibitors, 3‐methyladenine (3‐MA) and ULK‐101 rescued the cell viability by inhibiting rapalog‐induced autophagy, suggesting that both RAD001 and CCI‐779 induce non‐apoptotic autophagy‐dependent cell death (ADCD). Moreover, rapalogs upregulated the levels of ULK1 and pULK1 S555 with concomitant downregulation of the mTORC1 pathway. However, pretreatment of cells with rapalogs prevented the ULK‐101‐mediated inhibition of ULK1 to sustained autophagy, suggesting that rapalogs induce ADCD through the activation of ULK1. To further translate our in vitro studies, we investigated the effect of RAD001 in HPV‐negative mutTP53 (HN31 and FaDu) tumor cell xenograft model in nude mice. Mice treated with RAD001 exhibited a significant tumor volume reduction without induction of apoptosis, and with a concomitant increase in autophagy. Further, treatment with RAD001 was associated with a considerable increase in pULK1 S555 and ULK1 levels through the inhibition of mTORC1. 3‐MA reversed the effect of RAD001 on FaDu tumor growth suggesting that RAD001 promotes ACDC in HPV‐negative mutTP53 xenograft. This is the first report demonstrating that rapalogs promote non‐apoptotic ADCD in HPV‐negative mutTP53 HNSCC via the ULK1 pathway. Further studies are required to establish the promising role of rapalogs in preventing the regrowth of HPV‐negative mutTP53 HNSCC.
Clinical and Dopamine Transporter Imaging Trajectories in a Cohort of Parkinson's Disease Patients with GBA Mutations
Authors: Caminiti Silvia Paola , Carli Giulia , Avenali Micol , Blandini Fabio , Perani Daniela
Published: October 2021

Background

Glucosylceramidase (GBA) mutations are considered the most common genetic risk factors for developing Parkinson's disease (PD).

Objectives

We aimed to assess, at different time points, the integrity of brain striatal and extra‐striatal dopamine pathways and clinical phenotype of a group of PD subjects bearing heterozygous GBA mutations (GBA‐PD), compared with a group of idiopathic PD patients (iPD) stratified by age at disease onset. A longitudinal approach was adopted to evaluate the progression over time for clinical and 123I‐FP‐CIT SPECT imaging features.

Methods

We considered 46 GBA‐PD patients and 339 iPD patients, subdivided into two groups according to age at PD onset (n = 58 < 50 years and n = 281 > 50 years). We measured differences in the occurrence/severity/progression of motor and non‐motor features, 123I‐FP‐CIT standard uptake value ratios (SUVr) in striatal and extra‐striatal regions, and global cognitive deterioration over time in a subset of 168 cases with available follow‐up.

Results

At baseline, the GBA‐PD cohort showed more severe motor and cognitive deficits than the early‐iPD cohort. The 123I‐FP‐CIT SUVr reduction in the striatal and the extra‐striatal regions was more marked in the GBA‐PD than the early‐ and late‐iPD cohorts. Both GBA‐PD and late‐iPD patients had a significant annual deterioration in their global cognitive performance, while the early‐iPD group showed global cognitive stability over time. At follow‐up, the iPD cohorts became similar to the GBA‐PD group in 123I‐FP‐CIT SUVr reduction.

Conclusion

These new findings support the hypothesis of a biological role of GBA mutations in accelerating the early neurodegenerative processes in PD, leading to the malignant clinical phenotype. © 2021 International Parkinson and Movement Disorder Society
A compact ultra‐wideband receiving antenna for monitoring applications
Authors: Zhang Ying , Chen Xin , Yao Jiaqi , Yang Jizhong , Mao Zhiming , Hua Yifeng
Published: October 2021

In this paper, a compact ultra‐wideband receiving antenna is proposed. It consists of a top loaded planar monopole and a circular ground plane. This design combines various techniques such as the comb shaped top loading and the integrated lumped elements to effectively reduce the antenna size, while keeping a wide bandwidth and a reasonable realized gain. The proposed antenna operates across a wide frequency range from 20 to 8 GHz (for S11 <−6 dB), occupies a compact volume of 500 × 500 × 340 mm3 (0.033λ0 × 0.033 λ0 × 0.023 λ0 at 20 MHz) and has a stable omnidirectional radiation pattern in azimuth plane from 20 to 6 GHz. Simulations and measurements are conducted to validate the antenna performance. It is demonstrated that this antenna is well suited to a variety of wideband radio frequency receivers for monitoring use.
Atlas of receptor genes expressed by the bovine morula and corresponding ligand‐related genes expressed by uterine endometrium
Authors: Sang Lei , Xiao Yao , Jiang Zongliang , Forde Niamh , Tian Xiuchun Cindy , Lonergan Patrick , Hansen Peter J.
Published: October 2021

Regulation of the mammalian embryo involves cell‐signaling molecules produced by the maternal oviduct and endometrium. Here, datasets on the transcriptome of the gestational Days 5 and 6 bovine morula and Day 5 maternal endometrium were examined to identify receptor genes expressed by the morula and expression of the corresponding ligand‐related genes in the endometrium. A total of 175 receptor genes were identified in the morula, including 48 encoding for growth factors or WNT signaling molecules, 25 for cytokines and chemokines, 35 involved in juxtacrine and matricellular signaling and 25 encoding for receptors for small molecules. Some of the highly‐expressed pairs of endometrial ligand and embryo receptor genes included MDK and its receptors ITGB1, SDC4 and LRP2, WNT5A (RYK), VEGFA (ITGB1), GPI (AMFR), and the hedgehog proteins IHH and DHH (HHIP). The most highly expressed receptors for small molecules were GPRC5C (retinoic acid receptor), PGRMC1 (progesterone), and CHRNB2 (acetylcholine). There were also 84 genes encoding for cell signaling ligands expressed by the morula, with the most highly expressed being GPI, AIMP1, TIMP1, IK, and CCN2. The atlas of receptor and ligand genes should prove useful for understanding details of the communication between the embryo and mother that underlies optimal embryonic development.
Bonding, Aromaticity and Isomerization of Furfuraldehyde through Off‐Nucleus Isotropic Magnetic Shielding
Authors: Al‐Yassiri Muntadar A. H.
Published: October 2021

Off‐nucleus isotropic magnetic shielding (σiso(r)) and multi‐points nucleus independent chemical shift (NICS(0‐2 Å)) index were utilized to find the impacts of the isomerization of gas‐phase furfuraldehyde (FD) on bonding and aromaticity of FD. Multidimensional (1D to 3D) grids of ghost atoms (bqs) were used as local magnetic probes to evaluate σiso(r) through gauge‐including atomic orbitals (GIAO) at density functional theory (DFT) and B3LYP functional/6‐311+G(d,p) basis set level of theory. 1D σiso(r) responses along each bond of FD were examined. Also, a σiso(r) 2D‐scan was performed to obtain σiso(r) behavior at vertical heights of 0–1 Å above the FD plane in its cis, transition state (TS) and trans forms. New techniques for evaluating 2D σiso(r) cross‐sections are also included. Our findings showed that bonds in cyclic and acyclic parts of FD are dissimilar. Unlike the C−O bond of furanyl, the C=O bond of the formyl group is magnetically different. C−C and C−H bonds in furanyl are found similar to those in aromatic rings. A unique σiso(r) trend was observed for the C2−C6 bond during FD isomerization. Based on NICS(0‐2 Å) values, the degree of aromaticity follows the order of cis FD<trans FD<furan<TS FD.
Investigation on the mechanical properties and oil resistance of sulfur cured nitrile rubber/hydrogenated nitrile butadiene rubber blends
Authors: Zou Huimin , Jing Yuanrong , Tu Jieyun , Shi Xinghui , Kadlcak Jakub , Yong Zhanfu , Liu Susu , Liu Guangyong
Published: October 2021

Nitrile rubber (NBR)/hydrogenated nitrile butadiene rubber (HNBR) blends with various ratios were compounded with internal mixer and two‐roll open mill. Mechanical properties and low‐temperature performance (TR10) of the NBR/HNBR blends after aging under different conditions were investigated. Furthermore, equilibrium swelling test and moving die rheometer (MDR) test were used to systematically investigate the effects of HNBR dosage on the crosslink densities and curing behaviors. Vulcanization torque and crosslink densities decreased with an increase in HNBR content. The crosslink density of pure HNBR is higher than that of pure NBR, which is related to the macromolecular structures of the rubber. Compression sets of the NBR/HNBR vulcanizates were correlated with HNBR dosage indicating a linear relationship. Low‐temperature performance of the NBR/HNBR blends was improved after being aged in the synthetic hydrocarbon hydraulic oils (SH‐1 and SH‐2). This work shows that the low‐temperature performance and oil resistance could be better balanced by blending NBR with HNBR, while the mechanical properties maintain relatively high level.
European manufacturing capabilities for photonics
Authors: González Ana , Raspa Antonio
Published: October 2021

Since 2016, various European pilot lines have been created to scale up the manufacture of innovative photonics components and systems, with the twin aims of achieving self‐sufficiency and enhancing European global competitiveness in the field of photonics. In this article, we take a brief look at the manufacturing capabilities set up by the European Commission to provide services for the pilot production of photonic devices to SMEs, focusing on achievements and challenges for the future.
Dynamic behavior of periodic potential system driven by cross‐correlated non‐Gaussian noise and Gaussian white noise
Authors: Guo Yongfeng , Lou Xiaojuan , Dong Qiang , Wang Linjie
Published: October 2021

The dynamic behavior of the periodic potential system driven by the cross‐correlated non‐Gaussian noise and Gaussian white noise is studied in this article. According to path integral method and unified color noise approximation, the periodic potential system is transformed into a stochastic equivalent Stratonovich stochastic differential equation. Then the Fokker–Planck equation and the expression of the steady‐state probability density are derived. The fourth‐order Runge–Kutta algorithm is used to calculate the times response of the system. Meanwhile, the probability density function (PDF) of the first‐passage time (FPT) is simulated, and the mean first‐passage time (MFPT) is obtained by averaging these values. Finally, the influence of noise parameters on MFPT and PDF of FPT is analyzed.
A‐Site Doped Aurivillius Layered Perovskite Thin Film (Bi4‐xDyxTi3O12) Electrode for Mercury Ions Sensor
Authors: Roselin Arockiam Amali , Karkuzhali Rajendran , PanneerDoss Issac Joseph , Anandhan Narayanasamy , Gopu Gopalakrishnan , Sivakumar Ganesan , Ganesan Karupanan Periyanan , Selvam Ramaswamy Paneer
Published: October 2021

Heavy metals are highly polluting the environment and are considered a serious concern. As a result, early detection of these heavy metals is critical. In this research work, we focus on a new electrochemical sensor based on rare earth element (Dysprosium, Dy) modified with Aruvillius layered Perovskite (Bismuth titanate, Bi4Ti3O12, BTO) thin film electrodes with different concentrations of (0, 2 %, 4 %, 6 %)Dysprosium (Dy)was prepared using the sol‐gel spin coating method for mercury (Hg2+) ions detection.The X‐ray diffraction analysis reveals the prepared sample exhibits a polycrystalline orthorhombic structure. The highest emission peak at 575 nm is discerned in the more visible region corresponding to the transition of 4F9/2→6H3/2. In the X‐ray photoelectron spectroscopy analysis, the existence of Bi, Ti, O, and Dy is demonstrating the successful formation of prepared material. In the electrochemical section, various parameters such as pH, scan rate, and different concentrations of (Hg2+) ions were investigated. From the Cyclic Voltammetry and Electrochemical Impedance analysis, 4 % Dy doped BTO has been identified as an active electrochemical participant and has low charge transfer resistance. The stability analysis result shows the better stability of the electrode during the cycling for sensing application with a lower detection limit of 1.27 μM. It indicated that the modified 4 % Dy doped BTO thin film electrode can be explored for real‐time analysis.
Recent Investigation on Epoxidation of Styrene with Hydrogen Peroxide by Heterogeneous Catalysis
Authors: Li Xing , Wang Qingtao , Lyu Jinghui , Li Xiaonian
Published: October 2021

Since epoxidation of styrene with H2O2 by heterogeneous catalysis can, with eco‐friendliness and high efficiency, yield original styrene oxide, which is a significant bulk and fine chemical acting as crucial intermediate in wide field including perfume, food industry, UV absorber, epoxy resins thinner, plasticizers, etc., it wins promising prospect and considerable concern. This paper has reviewed the different types of catalysts applied in styrene epoxidation with H2O2 in heterogeneous phase. They are metal nanoparticles, metal oxides nanoparticles, anchored transition metal complexes, heterogeneous polyoxometallates, anchored ionic liquid, microporous and mesoporous materials, layered double hydroxides. This paper has also summarized predecessors’ works from various aspects including preparation of catalyst, catalyst activity, physical and chemical factors relate to catalyst activity, kinetics, reaction mechanism. This paper has exhibited panoptic research situation. It can provide reference for future enhancement on the target reaction and construction of tandem reaction that combines styrene epoxidation with in situ generation of H2O2 from H2 and O2.
Synthesis of New Valinol‐Derived Sultam Triazoles as α‐Glucosidase Inhibitors
Authors: Jaffery Syeda Mehak Fatima , Khan Maria Aqeel , Ullah Saeed , Atia‐tul‐Wahab  , Choudhary Muhammad Iqbal , Basha Fatima Zehra
Published: October 2021

α‐Glucosidase inhibition is one of the key targets for controlling diabetes. In consideration of that, new L‐valinol derived fluorinated sultam triazoles were synthesized as α‐glucosidase inhibitors, and their activities were further compared with the precursor molecules (sulfonamides, sultams, and N‐propargyl sultams). Primarily, all the synthesized sultam triazoles and precursor compounds (sulfonamides, sultams, and N‐propargyl sultams) were evaluated for different biological activities, including cytotoxicity, anti‐inflammatory, and α‐glucosidase inhibitory activities. Results revealed that only sultam triazoles exhibited inhibition against α‐glucosidase enzyme (IC50 values: 173 to 194 μM) using acarbose (IC50: 875.85 ± 2.03 μM) as the standard drug. These sultam triazoles were prepared after few steps, starting from enantiopure L‐valinol, which differ electronically (due to the position of fluorine atom and different positions on aromatic ring). Structures of all the compounds were evaluated using different spectroscopic techniques. Kinetics of active compounds were also investigated to find their mode of inhibition.
Synthesis of Chalcones as Potential α‐Glucosidase Inhibitors, In‐Vitro and In‐Silico Studies
Authors: Mukhtar Asma , Shah Shazia , Kanwal  , Khan Khalid Mohammed , Khan Shahid Ullah , Zaib Sumera , Iqbal Jamshed , Parveen Shahnaz , Taha Muhammad , Hussain Shafqat , Hameed Shahryar , Khan Naveed Ahmed , Siddiqui Ruqaiyyah , Anwar Ayaz
Published: October 2021

α‐glucosidase inhibitors are potential antihyperglycemic agents. Seventeen chalcones derivatives (1–17) were synthesized by reactions of diversely substituted aldehydes with various ketones. The structures of compounds were characterized by using nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS) and carbon, hydrogen, nitrogen (CHN) analysis. These synthetic molecules were tested for α‐glucosidase inhibitory activity. Acarbose was used as a standard drug and positive control in this study which exhibited an IC50 of 2.91±0.02 μM. Of seventeen, nine molecules 1‐3, 5, 6, 8, and 11‐13 displayed significant inhibition with IC50 values 1.19±0.19 to 15.79±0.99 μM. Compound 6 {(E)‐3‐(3,5‐dichloro‐2‐hydroxyphenyl)‐1‐(p‐tolyl)prop‐2‐en‐1‐one} with hydroxy and chloro substitutions was found to be the most active compound and a novel compound of this library with IC50=1.19±0.19 μM. Active molecules were subjected to in silico study to determine binding interactions with target site of α‐glucosidase.
Synthesis of CdS/g‐C3N4/Vermiculite Heterostructures with Enhanced Visible Photocatalytic Activity for Dye Degradation
Authors: Xue Ruixue , Wang Fangwai , Ge Yizhao , Ma Yujie , He Xiang , Wang Zijun
Published: October 2021

In this study, CdS/g‐C3N4/Vermiculite composites were prepared by hydrothermal and calcinated with expanded‐ vermiculite as host photocatalysis. Compared with other reference samples, the received CS/CN/VMT composite material has significantly enhanced photocatalytic activity on rhodamine B and methylene blue. The significantly enhanced catalytic efficiency is a benefit originating from the large specific surface area of vermiculite and the excellent electron transport efficiency between g‐C3N4 and CdS. Moreover, the degradation rate of the catalyst can still reach 96 % after being repeated four times, indicating that the composite catalyst has facilitated stability and recyclability. Particle capture experiments and ESR studies show that the .O2− is the primary active substance of CS/CN/VMT, and a possible photocatalytic degradation path has been proposed.
Cyclic N‐2‐Chloroethyl‐sulfamide Compounds with a Phosphonate Moiety: Synthesis, Characterization, X‐Ray Crystallographic Study and Antimicrobial Evaluation
Authors: Aouf Zineb , Bouacida Sofiane , Benzaid Chahrazed , Amira Aïcha , K'tir Hacène , Mathé‐Allainmat Monique , Lebreton Jacques , Aouf Nour‐Eddine
Published: October 2021

An efficient access to a novel series of organophosphorus compounds with a cyclosulfamide moiety is described. Starting from α‐hydroxyphosphonates, the 2‐chloroethyl‐(1, 2, 5‐ thiadiazoline‐2‐carbonyloxy‐1‐ dioxide) phosphonates compounds were prepared in three steps including an Abramov reaction, carbamoylation‐sulfamoylation with chlorosulfonyl isocyanate and an intramolecular cyclisation. The spectroscopic methods (1H NMR, 13C NMR, 31P NMR, MS and IR) were used to determine the structural characteristics of the synthesized compounds and X‐ray crystallographic data were provided for compound 3c. Some selected compounds were screened in vitro for their antimicrobial activity against a panel of microorganisms, resulting in a good antibacterial activity compared to standard drugs.
La‐Based Perovskites Combined with HZSM‐5 for Selective Conversion of Syngas into Aromatics
Authors: Wang Jinhao , Huang Zhen , Fang Yue , Shen Wei , Xu Hualong
Published: October 2021

Improving catalytic selectivity with high conversion meets big challenge for direct conversion of syngas (CO/H2) to aromatics (STA). Here, a series of LaBO3 (B=Fe, Co, Ni, Mn, Cr) perovskite oxides was synthesized and applied as metal oxide component of OX‐ZEO bifunctional catalysts for STA firstly. By combining with HZSM‐5, LaFeO3, LaMnO3 and LaCrO3 exhibited good performance on syngas conversion. For the bifunctional catalyst of LaFeO3/HZSM‐5, a superior catalytic performance with 82.0 % selectivity to aromatics at 28.5 % CO conversion was achieved. The composition of B‐site metals in perovskites and its stabilization in the structure are essential for activity of STA reaction. In situ DRIFTs study revealed the syngas conversion over perovskite followed the surface formate and methoxy intermediate species transformation pathway.
Ubiquitous Presence of Intermolecular CH…O Hydrogen Bonds in As‐synthesized Host‐Guest Zeolite Materials
Authors: Al‐Nahari Shadi , Ata Karima , Mineva Tzonka , Alonso Bruno
Published: October 2021

CH⋅⋅⋅O hydrogen bonds (HBs) are ubiquituous in silica zeolite crystals hosting cationic Organic Structure Directing agents (OSDAs). This new finding is notably supported by a correlation between experimental C−O distances and COSi angles’ distributions of two series of 19 and 11 available structures. The correlation enables to asses the directionality of the CH…O intermolecular interactions and to extrapolate a geometrical model for the hydrogen bonded moeities. DFT−D3 calculations on representative structures further confirmed the presence of these HBs and their geometry on the basis of H−O distances, CHO angles and electron density. The reported insights demonstrate also the particularities of these intermolecular interactions in terms of charge distribution and electrostatic potentials. Further, multiple hydrogen bonding is evidenced between OSDAs and zeolites’ channels and cages, opening new perspectives in the study of zeolite‐OSDA host‐guest interactions.
Efficient Electrochemical Reduction of CO2 to CO in Ionic Liquids
Authors: Hu Yanjie , Feng Jiaqi , Zhang Xiangping , Gao Hongshuai , Jin Saimeng , Liu Lei , Shen Weifeng
Published: October 2021

Electrochemical reduction of carbon dioxide (CO2) to CO is a promising strategy. However, achieving high Faradaic efficiency with high current density using ionic liquid (IL) electrolyte remains a challenge. In this study, the new IL N‐octyltrimethyl ammonium 1,2,4‐triazole ([N1118][TRIZ]) shows outstanding performance for electrochemical reduction of CO2 to CO on the commercial Ag electrode, and the current density can be up to 50.8 mAcm−2 with a Faradaic efficiency of 90.6 %. The current density of CO is much higher than those reported in the IL electrolyte. In addition, the density functional theory (DFT) calculation further proved that [N1118][TRIZ] interact with CO2 to form [N1118]+[TRIZ‐CO2]− complex which played a key role in reducing the activation energy of CO2. The formation of [N1118]+[TRIZ‐CO2]− complex was verified by Fourier Transform Infrared (FTIR) spectroscopy. According to the molecular orbital theory, the electrons obtained from IL was filled in the anti‐bonding orbit (π*) of the CO2, resulting in reducing the C=O bond energy. This work provides a new strategy to design novel ILs for high efficiency electrochemical reduction of CO2 to CO.
Ionic Sieving Through One‐Atom‐Thick 2D Material Enables Analog Nonvolatile Memory for Neuromorphic Computing
Authors: Nikam Revannath Dnyandeo , Lee Jongwon , Choi Wooseok , Banerjee Writam , Kwak Myonghoon , Yadav Manoj , Hwang Hyunsang
Published: October 2021

The first report on ion transport through atomic sieves of atomically thin 2D material is provided to solve critical limitations of electrochemical random‐access memory (ECRAM) devices. Conventional ECRAMs have random and localized ion migration paths; as a result, the analog switching efficiency is inadequate to perform in‐memory logic operations. Herein ion transport path scaled down to the one‐atom‐thick (≈0.33 nm) hexagonal boron nitride (hBN), and the ionic transport area is confined to a small pore (≈0.3 nm2) at the single‐hexagonal ring. One‐atom‐thick hBN has ion‐permeable pores at the center of each hexagonal ring due to weakened electron cloud and highly polarized B–N bond. The experimental evidence indicates that the activation energy barrier for H+ ion transport through single‐layer hBN is ≈0.51 eV. Benefiting from the controlled ionic sieving through single‐layer hBN, the ECRAMs exhibit superior nonvolatile analog switching with good memory retention and high endurance. The proposed approach enables atomically thin 2D material as an ion transport layer to regulate the switching of various ECRAM devices for artificial synaptic electronics.
Reorganization Energy upon Controlled Intermolecular Charge‐Transfer Reactions in Monolithically Integrated Nanodevices
Authors: Merces Leandro , Candiotto Graziâni , Ferro Letícia Mariê Minatogau , de Barros Anerise , Batista Carlos Vinícius Santos , Nawaz Ali , Riul Antonio , Capaz Rodrigo B. , Bufon Carlos César Bof
Published: October 2021

Intermolecular electron‐transfer reactions are key processes in physics, chemistry, and biology. The electron‐transfer rates depend primarily on the system reorganization energy, that is, the energetic cost to rearrange each reactant and its surrounding environment when a charge is transferred. Despite the evident impact of electron‐transfer reactions on charge‐carrier hopping, well‐controlled electronic transport measurements using monolithically integrated electrochemical devices have not successfully measured the reorganization energies to this date. Here, it is shown that self‐rolling nanomembrane devices with strain‐engineered mechanical properties, on‐a‐chip monolithic integration, and multi‐environment operation features can overcome this challenge. The ongoing advances in nanomembrane‐origami technology allow to manufacture the nCap, a nanocapacitor platform, to perform molecular‐level charge transport characterization. Thereby, employing nCap, the copper‐phthalocyanine (CuPc) reorganization energy is probed, ≈0.93 eV, from temperature‐dependent measurements of CuPc nanometer‐thick films. Supporting the experimental findings, density functional theory calculations provide the atomistic picture of the measured CuPc charge‐transfer reaction. The experimental strategy demonstrated here is a consistent route towards determining the reorganization energy of a system formed by molecules monolithically integrated into electrochemical nanodevices.
Optimized design of fillet welds in RHS joints for EN 1993‐1‐8
Authors: Newcomb Benjamin , Tousignant Kyle
Published: October 2021

ISO 14346 permits fillet welds in rectangular hollow section (RHS) joints to be designed either (i) to develop the capacity of the connected brace or (ii) to resist the actual load(s) in the brace (i.e. as “fit‐for‐purpose”). However, no methods for design according to approach (ii) are given in the ISO or any European standard. In this paper, data from 41 weld‐critical tests on RHS gapped K, T, Y and X joints under brace axial load(s) are analysed to determine a reliable method for the design of fillet welds as “fit‐for‐purpose”. “Weld effective length” formulae are evaluated in conjunction with EN 1993‐1‐8 (directional and simplified methods) according to the standard procedure of EN 1990. A reliable method, based on ISO 14346, is proposed for calculating the design resistance of all‐around fillet welds in RHS gapped K, T, Y and X joints. Updates to the minimum fillet weld throat thicknesses required to develop the capacity of a connected RHS brace are also discussed.
Application of Rh(I)/Bicyclo[2.2.1]heptadiene Catalysts to the Enantioselective Synthesis of Chiral Amines
Authors: Cheng Yu‐Yi , Li Wei‐Sian , Wu Hsyueh‐Liang
Published: October 2021

The development of efficient synthetic methods for accessing enantioenriched α‐chiral amines is of great importance in the disciplines of medicinal and synthetic organic chemistry. Enantioselective Rh‐catalyzed 1,2‐addition reactions to activated imine derivatives are regarded as useful protocols for forming α‐chiral amines. This personal account outlines our efforts to develop chiral bicyclo[2.2.1]heptadiene ligands for Rh‐catalyzed asymmetric additions of various organoboron reagents to a wide range of imine derivatives. Transformations of the thus‐obtained adducts into known natural products or molecules of pharmaceutical importance serve to confirm their synthetic usefulness.
Short tail stories: the hirudin-like factors HLF6 and HLF7 of the Asian medicinal leech, Hirudinaria manillensis
Authors: Müller Christian , Eickelmann Chantal , Sponholz Dana , Hildebrandt Jan-Peter
Published: October 2021

The leech-derived hirudins and hirudin-like factors (HLFs) share a common molecule structure: a short N-terminus, a central globular domain, and an elongated C-terminal tail. All parts are important for function. HLF6 and HLF7 were identified in the Asian medicinal leech, Hirudinaria manillensis. The genes of both factors encode putative splice variants that differ in length and composition of their respective C-terminal tails. In either case, the tails are considerably shorter compared to hirudins. Here we describe the functional analyses of the natural splice variants and of synthetic variants that comprise an altered N-terminus and/or a modified central globular domain. All natural splice variants of HLF6 and HLF7 display no detectable thrombin-inhibitory potency. In contrast, some synthetic variants effectively inhibit thrombin, even with tails as short as six amino acid residues in length. Our data indicate that size and composition of the C-terminal tail of hirudins and HLFs can vary in a great extent, yet the full protein may still retain the ability to inhibit thrombin.
Spatio-temporal analysis of the ‘last vestiges’ of endogenous cultural institutions: implications for Cameroon’s protected areas
Authors: Kimengsi Jude Ndzifon , Abam Chick Emil , Forje Gadinga Walter
Published: October 2021

The theoretical link between endogenous cultural institutions (ECIs) and the regulation of natural resource access and use in sub-Saharan Africa is re-gaining its position in theory and practice. This is partly explained by growing resource use inefficiency, linked to predominantly exogenous, centralized institutions. The current situation has rekindled interest to understand what is left of ECIs that can support natural resource use and management in several natural resource contexts, including protected areas. To provide answers to these questions, in-depth studies with a geographic orientation are required. Put succinctly, a spaio-temporal evidence base of ECIs around protected areas is relevant in today’s dispensation. Such evidence is required for rich natural resource and culturally diverse settings such as Cameroon—having over 250 ethnic groups. This paper explores space time dynamics of ECIs around two of Cameroon’s protected areas—Santchou and Bakossi landscapes. Specifically we: (i) identified and categorized ECIs linked to protected area management, (ii) analyzed their spatio-temporal dynamics and discuss their implications for protected area management. The study is informed by key informant interviews (N = 22) and focus group discussions (N = 6). Using descriptive statistics, the key resources around these protected areas were categorized. Furthermore, narratives and thematic analysis constituted the key element of qualitative analysis. In addition, an analysis of the spatial distribution of ECIs was conducted. Based on our analysis, we derived the following conclusions: (1) Institutions that assume an endogenous cultural nature in some communities potentially exhibit an exogenous origin with a perennial nature; while some ECIs may assume ephemeral to intermittent nature, despite being culturally embedded in communities. (2) While present day ECIs regulate the use of natural resources around protected areas, they were not initially set up for this purpose. (3) Even within the same ethnic group, ECIs exhibit spatio-temporal variations. The results suggest the need for Cameroon’s on-going revision of the legal framework to emphasize context-specific elements of ECI which could leverage protected area management.
Space mapping-based optimization with the macroscopic limit of interacting particle systems
Authors: Weißen Jennifer , Göttlich Simone , Totzeck Claudia
Published: October 2021

We propose a space mapping-based optimization algorithm for microscopic interacting particle dynamics which are infeasible for direct optimization. This is of relevance for example in applications with bounded domains for which the microscopic optimization is difficult. The space mapping algorithm exploits the relationship of the microscopic description of the interacting particle system and a corresponding macroscopic description as partial differential equation in the “many particle limit”. We validate the approach with the help of a toy problem that allows for direct optimization. Then we study the performance of the algorithm in two applications. A pedestrian flow is considered and the transportation of goods on a conveyor belt is optimized. The numerical results underline the feasibility of the proposed algorithm.
Roles, barriers and behavioral determinants related to community pharmacists' involvement in optimizing opioid therapy for chronic pain: a qualitative study
Authors: Alenezi Aziza , Yahyouche Asma , Paudyal Vibhu
Published: October 2021

Background Opioid are currently widely used to manage chronic non-malignant pain (CNMP), but there is a growing concern about harm resulting from opioid misuse and the need for medicine optimization, in which pharmacists could potentially play a key role. Objective This study explored pharmacists' roles, barriers and determinants related to their involvement in optimizing prescribed opioids for patients with chronic pain. Setting Community pharmacies in the United Kingdom. Method Semi-structured interviews based on the Theoretical Domains Framework were conducted between January and May 2020 with 20 community pharmacists recruited through professional networks. Data were analysed thematically. Main outcome measure: Pharmacists’ perceived roles, barriers and behavioural determinants in relation to opioid therapy optimization. Result Pharmacists demonstrated desire to contribute to opioid therapy optimization. However, they described that they were often challenged by the lack of relevant knowledge, skills and training, inadequate time and resources, systemic constraints (such as lack of access to medical records and information about diagnosis), and other barriers including relationships with doctors and patients. Conclusion The contribution of community pharmacists to optimize opioid therapy in CNMP is unclear and impeded by lack of appropriate training and systemic constraints. There is a need to develop innovative practice models by addressing the barriers identified in this study to enhance the contribution of community pharmacists in optimization of opioid therapy for chronic pain.
Effect of fungal endophytes on plant growth and nutrient uptake in Trifolium subterraneum and Poa pratensis as affected by plant host specificity
Authors: García-Latorre Carlos , Rodrigo Sara , Santamaria Oscar
Published: October 2021

The introduction of well-adapted species, such as Trifolium subterraneum (subclover) and Poa pratensis (Kentucky bluegrass), might enhance the forage yield and quality of dehesa pastures for feeding livestock. However, the climatic hardness and poor soils in these agrosystems may limit plant establishment and development. Since fungal endophytes have been found to alleviate the environmental stresses of their host, the aim of this study was to assess the effect of five isolates on forage yield, nutritive value, and plant mineral uptake after their inoculation in the two abovementioned plant species. Two experiments were established (under greenhouse and field conditions) using plants inoculated with two isolates in 2012/2013 (Epicoccum nigrum, Sporormiella intermedia) and three isolates in 2013/2014 (Mucor hiemalis, Fusarium equiseti, Byssochlamys spectabilis). Fusarium equiseti (E346) increased the herbage yield of T. subterraneum under greenhouse conditions, and B. spectabilis improved the forage quality of T. subterraneum by reducing fiber content and of P. pratensis by increasing crude protein. S. intermedia increased the mineral uptake of Ca, Cu, Mn, Pb, Tl, and Zn in subclover, and M. hiemalis increased the uptake of K and Sr in Kentucky bluegrass. These results evidence the potential of the studied fungal endophytes to enhance herbage yield and nutritional value of forage, although further studies should include all of the target forage species as certain host specificity in the effect was observed.
Development and validation of a 12-item version of the Barrett-Lennard Relationship Inventory (B-L RI:mini) using item response theory
Authors: Chen Shun , Liao Faith , Murphy David , Joseph Stephen
Published: October 2021

The Barrett-Lennard Relationship Inventory (B-L RI; Barrett-Lennard, (2015). The Relationship Inventory A Complete Resource and Guide. http://nbn-resolving.de/urn:nbn:de:101:1-201602103917) is the most widely used measure of the facilitative conditions described by Carl Rogers as important for constructive personality development in his person-centered theory. At with 64 items it is however time consuming for participants to complete, and even in its shorter form, the B-L RI is 40-items long. In order to improve its utility, a mini form of the B-L RI was developed. In study 1, we used item response theory to select 12 out of the full 64 items to form the B-L RI:mini based on their discrimination, difficulty, information, and measurement invariance across the English (n = 298), Chinese (n = 658), and Spanish (n = 330) language versions of the inventory. In study 2 (N = 362), we validated the reliability and validity of the new 12-item measure. It was found that the B-L RI:mini showed excellent total internal consistency, temporal stability, and construct validity. According to the results of the study, the B-L RI:mini maintains optimal psychometric properties with a small number of items. This scale is recommended for use in further studies.
Three‐Dimensional Analysis of Global Gravity Waves Based on COSMIC Multi‐Satellite Observations
Authors: Zeng Xuanyun , Peng Yu , Liu Si
Published: October 2021

Gravity waves (GWs) transport momentum and energy in the atmosphere, and it has become a difficult problem how to use satellites data to extract the horizontal parameters of GWs. We firstly applied the multi‐channel maximum entropy method to the temperature profile triples based on the favorable conditions of satellite flight between year 2006 and 2007 after COSMIC launch, and analyzed the three‐dimensional properties of GWs. The latitudinal and seasonal distribution of horizontal wavelengths of gravity waves were obtained. The momentum fluxes showed the maximum in the summertime subtropics and the wintertime high latitudes, which revealed possible convective sources in the summertime subtropics and mountain waves expected to occur in the winter jet region in the winter hemisphere high latitudes. The fluxes also showed the maximum at summer high latitudes, which were seldom reported.