bluuebunny/crossref_metadata_2025 huggingface dataset:
Renoprotective Effect of Formononetin against Cyclophosphamide-Induced Oxidative Stress and Inflammation in Rat Kidney
Authors: Aladaileh Saleem H. , Al-Swailmi Farhan K. , Abukhalil Mohammad H. , Shalayel Mohammed H.
Published: February 2021

Aims: Cyclophosphamide (CP) is a broad-spectrum chemotherapy agent available to treat various malignancies; however, its nephrotoxicity limits its clinical use. Formononetin (FOR) is a bioactive isoflavone with encouraging biological activities. The current study explored and elucidated the possible protective/therapeutic effects of formononetin against CP-induced nephrotoxicity.

Methodology: Rats received FOR (40 mg/kg/day) for 15 days followed by a single injection of CP on day 16. CP-induced nephrotoxicity is characterized by an increase in urea and creatinine levels in serum. Kidney homogenate was used to assess MDA, NO and antioxidants.

Results: CP-administered rats showed increased renal malondialdehyde and nitric oxide along with declined glutathione and antioxidant enzymes. In addition, CP increased pro-inflammatory cytokines and pro-apoptotic proteins levels and decreased anti-apoptotic protein Bcl2 levels in the kidney. FOR prevented CP-induced kidney injury, enhanced antioxidants and suppressed oxidative stress, pro-inflammatory mediators and apoptosis.

Conclusion: These findings suggest that FOR prevents CP nephrotoxicity by attenuating the oxidative damage and inflammation. Therefore, our data suggest that FOR may represent a novel protective strategy against CP-induced nephrotoxicity, which deserves pursuit in further studies.
P-T-X and P-T-h Diagrams of the Working Pair H20/LiBr at Thermodynamic Equilibrium and Charts that Permit to Determine its Thermodynamic Properties
Authors: Nonguierma Yves Christian , Konfe Amadou , Bathiebo Dieudonné Joseph
Published: February 2021

The thermodynamic properties at equilibrium, in this case, enthalpy, pressure, temperature, mass fraction, of working pairs are very important for researchers and in the design of absorption refrigeration systems. Although some authors have carried out their research in this direction by setting up empirical formulas, there are unfortunately no charts or easy-to-use diagrams making it possible to have these properties for the couple H20/LiBr. The aim of this present study is to make a small contribution by making charts and diagrams available to all, making it possible to quickly and easily obtain the properties of lithium bromide at thermodynamic equilibrium.
Correlating Women Empowerment with Micro Finance in a Small Village in Bangladesh by Using Statistical Methodology
Authors: Akter MST Fatema , Nayeem Abdur Rakib , Didar Md. Abir Hossain
Published: February 2021

Women empowerment is the most significant and examining issues in non-industrial nations extraordinarily in Bangladesh. This study investigated the viability and Correlating Women Empowerment with Micro Finance in a Small Village in Bangladesh by Using Statistical Methodology. With absolute number of 220 respondents, where, 100 was experienced micro credit program and another 120 respondent did not have any experience regarding the micro credit program. Stratified random sampling was used from Aatghar Union porishad under Shaltha Upozilla in Faridpur, Bangladesh and information has been gathered through face to face interview and personal meeting by utilizing overview strategy. By investigating five measurements; monetary decision making, household unit dynamic, physical movement freedom, property ownership and finally, responsibility for political and social awareness the women empowerment was estimated. The outcomes demonstrated the positive impacts of micro credit programs on women strengthening inside different measurements and investigation uncovers that the women empowerment is impacted by the improvement of miniature credit programs in Bangladesh through the selected five measurements.
Accurate detection of Newcastle disease virus using proximity‐dependent DNA aptamer ligation assays
Authors: Marnissi Boutheina , Khalfaoui Khouloud , Ebai Tonge , Marques Souza de Oliveira Felipe , Ghram Abdeljelil , Kamali‐Moghaddam Masood , Hmila Issam
Published: February 2021

Detecting viral antigens at low concentrations in field samples can be crucial for early veterinary diagnostics. Proximity ligation assays (PLAs) in both solution and solid‐phase formats are widely used for high‐performance protein detection in medical research. However, the affinity reagents used, which are mainly poly‐ and monoclonal antibodies, play an important role in the performance of PLAs. Here, we have established the first homogeneous and solid‐phase proximity‐dependent DNA aptamer ligation assays for rapid and accurate detection of Newcastle disease virus (NDV). NDV is detected by a pair of extended DNA aptamers that, upon binding in proximity to proteins on the envelope of the virus, are joined by enzymatic ligation to form a unique amplicon that can be sensitively detected using real‐time PCR. The sensitivity, specificity, and reproducibility of the assays were validated using 40 farm samples. The results demonstrated that the developed homogeneous and solid‐phase PLAs, which use NDV‐selective DNA aptamers, are more sensitive than the sandwich enzymatic‐linked aptamer assay (ELAA), and have a comparable sensitivity to real‐time reverse transcription PCR (rRT‐PCR) as the gold standard detection method. In addition, the solid‐phase PLA was shown to have a greater dynamic range with improved lower limit of detection, upper‐ and lower limit of quantification, and minimal detectable dose as compared with those of ELAA and rRT‐PCR. The specificity of PLA is shown to be concordant with rRT‐PCR.
Switching the substrate specificity of lysoplasmalogen‐specific phospholipase D
Authors: Oyama Takayuki , Murayama Kazutaka , Sugimori Daisuke
Published: February 2021

Lysoplasmalogen‐specific phospholipase D (LyPls‐PLD) catalyzes reactions in a manner similar to those catalyzed by glycerophosphodiester phosphodiesterase (GDPD) and other well‐known PLDs. Although these enzymes hydrolyze the glycerophosphodiester bond, their substrate specificities are completely different. Previously, we reported that LyPls‐PLD from Thermocrispum sp. RD004668 shows only 53% activity with 1‐hexadecyl‐2‐hydroxy‐sn‐glycero‐3‐phosphocholine (LysoPAF) relative to the 100% activity it shows with choline lysoplasmalogen (LyPlsCho). Lipoprotein‐associated phospholipase A2 (Lp‐PLA2) activity can be used to evaluate for cardiovascular disease. Hence, development of a point‐of‐care testing kit requires a LysoPAF‐specific PLD (LysoPAF‐PLD) to measure Lp‐PLA2 activity. Rational site‐directed mutagenesis and kinetic analysis were applied to generate LysoPAF‐PLD from LyPls‐PLD and to clarify the mechanisms underlying the substrate‐recognition ability of LyPls‐PLD. Our results suggest that LyPls‐PLD variants A47, M71, N173, F211, and W282 are possibly involved in substrate recognition and that F211L may substantially alter substrate preference. Moreover, the specific activity ratio LysoPAF/LyPlsCho corresponding to F211L was up to 25‐fold higher than that corresponding to the wild‐type enzyme. Thus, we succeeded in switching from LyPlsCho‐ to LysoPAF‐PLD. These results suggest that the F211L variant may be utilized to measure Lp‐PLA2 activity. Kinetic analyses demonstrated that product release was the rate‐limiting step of the reaction, with flexibility of the sn‐1 ether‐linked vinyl/alkyl chain of the substrate being essential for substrate binding and product release. Our findings may lead to a better understanding of the differences between homologous enzymes (such as PLD, sphingomyelinase D, and GDPD of the phosphatidylinositol‐phosphodiesterase superfamily) in relation to substrate recognition.

Enzyme

EC 3.1.4.2 (currently assigned).
Investigating volumetric repainting to mitigate interplay effect on 4D robustly optimized lung cancer plans in pencil beam scanning proton therapy
Authors: Rana Suresh , Rosenfeld Anatoly B.
Published: February 2021

Purpose

The interplay effect between dynamic pencil proton beams and motion of the lung tumor presents a challenge in treating lung cancer patients in pencil beam scanning (PBS) proton therapy. The main purpose of the current study was to investigate the interplay effect on the volumetric repainting lung plans with beam delivery in alternating order (“down” and “up” directions), and explore the number of volumetric repaintings needed to achieve acceptable lung cancer PBS proton plan.

Method

The current retrospective study included ten lung cancer patients. The total dose prescription to the clinical target volume (CTV) was 70 Gy(RBE) with a fractional dose of 2 Gy(RBE). All treatment plans were robustly optimized on all ten phases in the 4DCT data set. The Monte Carlo algorithm was used for the 4D robust optimization, as well as for the final dose calculation. The interplay effect was evaluated for both the nominal (i.e., without repainting) as well as volumetric repainting plans. The interplay evaluation was carried out for each of the ten different phases as the starting phases. Several dosimetric metrics were included to evaluate the worst‐case scenario (WCS) and bandwidth based on the results obtained from treatment delivery starting in ten different breathing phases.

Results

The number of repaintings needed to meet the criteria 1 (CR1) of target coverage (D95% ≥ 98% and D99% ≥ 97%) ranged from 2 to 10. The number of repaintings needed to meet the CR1 of maximum dose (ΔD1% < 1.5%) ranged from 2 to 7. Similarly, the number of repaintings needed to meet CR1 of homogeneity index (ΔHI < 0.03) ranged from 3 to 10. For the target coverage region, the number of repaintings needed to meet CR1 of bandwidth (<100 cGy) ranged from 3 to 10, whereas for the high‐dose region, the number of repaintings needed to meet CR1 of bandwidth (<100 cGy) ranged from 1 to 7. Based on the overall plan evaluation criteria proposed in the current study, acceptable plans were achieved for nine patients, whereas one patient had acceptable plan with a minor deviation.

Conclusion

The number of repaintings required to mitigate the interplay effect in PBS lung cancer (tumor motion < 15 mm) was found to be highly patient dependent. For the volumetric repainting with an alternating order, a patient‐specific interplay evaluation strategy must be adopted. Determining the optimal number of repaintings based on the bandwidth and WCS approach could mitigate the interplay effect in PBS lung cancer treatment.
Structure‐Induced Stability in Sinuous Black Silicon for Enhanced Hydrogen Evolution Reaction Performance
Authors: Patrick Margaret , Yang Fan , Vakki Waltteri , Aguiar Jeffery A. , Gu Jing
Published: February 2021

Clean energy infrastructures of the future depend on efficient, low‐cost, long‐lasting systems for the conversion and storage of solar energy. This is currently limited by the durability and economic viability of today's solar energy systems. These limitations arise from a variety of technical challenges; primarily, a need remains for the development of stable solar absorber–catalyst interfaces and improved understanding of their mechanisms. Although thin film oxides formed via atomic layer deposition have been widely employed between the solar absorber–catalyst interfaces to improve the stability of photoelectrochemical devices, few stabilization strategies have focused on improving the intrinsic durability of the semiconductor. Here, a sinuous black silicon photocathode (s‐bSi) with intrinsically improved stability owing to the twisted nanostructure is demonstrated. Unlike columnar black silicon with rapidly decaying photocurrent density, s‐bSi shows profound stability in strong acid, neutral, and harsh alkaline conditions during a 24‐h electrolysis. Furthermore, scanning transmission electron microscopy studies prior to and post electrolysis demonstrate limited silicon oxide growth inside the walls of s‐bSi. To the authors’ knowledge, this is the first time structure‐induced stability has been reported for enhancing the stability of a photoelectrode/catalyst interface for solar energy conversion.
Crossover Effects in Batteries with High‐Nickel Cathodes and Lithium‐Metal Anodes
Authors: Langdon Jayse , Manthiram Arumugam
Published: February 2021

It is well understood that cathode‐to‐anode crossover, especially of transition‐metal ions, can significantly impact the long‐term cycling of lithium‐ion batteries. The dissolved transition‐metal ions in lithium‐ion cells deposit on the graphite anode, disrupt the solid‐electrolyte interphase (SEI), and catalyze further side reactions. Meanwhile, crossover effects in lithium‐metal batteries have rarely been studied. This study is the first to investigate crossover effects in lithium‐metal batteries with high‐nickel layered‐oxide cathodes. It is shown that the crossover of transition‐metal ions from LiNi0.9Mn0.05Co0.05O2 has minimal effect on the lithium‐metal anode (LMA) due to the following reasons. The catalytic transition metals 1) have less effect on an inherently reactive LMA, 2) are diluted in a thicker SEI, and 3) are produced in overall lower quantity due to the limited cycle life of the LMA. Conversely, the LMA generates soluble decomposition products that cross over to the cathode even during early cycling. This crossover accelerates impedance growth and capacity fade at the cathode and is partially responsible for the mismatch between the performance of half and full‐cells with layered‐oxide cathodes. This study highlights the need for better battery design with LMA, potentially including electrolyte or cell modifications.
Iron‐Promoted Radical Cyclization of β, γ‐Unsaturated Oximes: Dual Role of Iron(III) Nitrate as a Promoter and Nitrooxy Source
Authors: Yu Wei , Wang Pei‐Long , Xu Ke , Li Hongji
Published: February 2021

A method for the radical cyclization of β,γ‐unsaturated oximes to access the isoxazoline backbone has been developed, in which iron(III) nitrate plays a dual role as a promoter and a nitrooxy source. Iron‐promoted cyclization is well tolerated with a series of aryl‐ and alkyl‐substituted β,γ‐unsaturated oximes, which readily affords the desired isoxazolines that can be easily transformed into useful compounds. Mechanistic experiments support that a radical pathway may be involved in the cyclization of β,γ‐unsaturated oximes.
Synthesis of 7‐Phenylindole Derivatives through Rhodium‐Catalyzed Dehydrogenative Coupling of 2‐(Acetylamino)‐1,1’‐biphenyls with Alkynes
Authors: Michikita Ryudai , Usuki Yoshinosuke , Satoh Tetsuya
Published: February 2021

The dehydrogenative coupling of 2‐(acetylamino)‐1,1’‐biphenyls with internal alkynes proceeds regioselectively under rhodium catalysis to afford the corresponding 7‐phenylindole derivatives. Combining with Suzuki‐Miyaura coupling, the processes provide easy access to the 7‐phenylindole structures from readily available starting materials.
Mechanistic Understanding of Efficient Photocatalytic H2 Evolution on Two‐Dimensional Layered Lead Iodide Hybrid Perovskites
Authors: Wang Hong , Zhang Hefeng , Wang Junhui , Gao Yuying , Fan Fengtao , Wu Kaifeng , Zong Xu , Li Can
Published: February 2021

Three‐dimensional (3D) organic–inorganic hybrid perovskites have demonstrated excellent capability in solar fuel production, while the two‐dimensional (2D) counterparts are generally considered inferior candidates due to the high exciton binding energy and weak light absorption. Herein, contrary to our common understanding, we find that 2D perovskites can perform photocatalytic H2 production from HI splitting more efficiently than their 3D counterparts. We observed sharp difference between 2D perovskites crystals with organic phenylalkylammonium cations of different lengths and the 3D counterparts in their stabilization behavior in aqueous solution. Moreover, we show that the organic cations length of the 2D perovskites affects the nanostructures, optoelectronic properties, and the charge transfer process significantly, which determines the photocatalytic activity of the 2D perovskites. Among the 2D perovskites under investigation, phenylmethylammonium lead iodide with the shortest organic cations achieved the best solar‐to‐chemical conversion efficiency of ca. 1.57 %, which is the highest value ever reported for hybrid perovskites.
Liposomes as Carriers of Membrane‐Associated Proteins and Peptides for Mass Spectrometric Analysis
Authors: Frick Melissa , Schwieger Christian , Schmidt Carla
Published: February 2021

Membrane proteins are key players of the cell. Their structure and the interactions they form with their lipid environment are required to understand their function. Here we explore liposomes as membrane mimetics for mass spectrometric analysis of peripheral membrane proteins and peptides. Liposomes are advantageous over other membrane mimetics in that they are easy to prepare, can be varied in size and composition, and are suitable for functional assays. We demonstrate that they dissociate into lipid clusters in the gas phase of a mass spectrometer while intact protein and protein–lipid complexes are retained. We exemplify this approach by employing different liposomes including proteoliposomes of two model peptides/proteins differing in size. Our results pave the way for the general application of liposomes for mass spectrometric analysis of membrane‐associated proteins.
Understanding the (De)Sodiation Mechanisms in Na‐Based Batteries through Operando X‐Ray Methods
Authors: Brennhagen Anders , Cavallo Carmen , Wragg David S. , Sottmann Jonas , Koposov Alexey Y. , Fjellvåg Helmer
Published: February 2021

Progress in the field of Na‐based batteries strongly relies on the development of new advanced materials. However, one of the main challenges of implementing new electrode materials is the understanding of their mechanisms (sodiation/desodiation) during electrochemical cycling. Operando studies provide extremely valuable insights into structural and chemical changes within different battery components during battery operation. The present review offers a critical summary of the operando X‐ray based characterization techniques used to examine the structural and chemical transformations of the active materials in Na‐ion, Na‐air and Na‐sulfur batteries during (de)sodiation. These methods provide structural and electronic information through diffraction, scattering, absorption and imaging or through a combination of these X‐ray‐based techniques. Challenges associated with cell design and data processing are also addressed herein. In addition, the present review provides a perspective on the future opportunities for these powerful techniques.
Pyroptosis executive protein GSDMD as a biomarker for diagnosis and identification of Alzheimer’s disease
Authors: Shen Heping , Han Chenyang , Yang Yi , Guo Li , Sheng Yongjia , Wang Jin , Li Wenyan , Zhai Liping , Wang Genghuan , Guan Qiaobing
Published: February 2021

Objective

This study was mainly conducted to explore the expression changes of GSDMD and conventional markers (including T‐Tau, Tau181p, and Aβ1–42) in the cerebrospinal fluid among patients with Alzheimer's disease (AD) and vascular dementia (VD), followed by determination of role of GSDMD in diagnosing and identifying AD and VD.

Methods

In this study, 60 patients with VD, 60 patients with AD, and 50 healthy controls were enrolled. Lumbar puncture was performed to collect cerebrospinal fluid samples. Patients with VD and patients with AD were evaluated using the Mini‐Mental State Examination (MMSE) scale, Montreal Cognitive Assessment (MoCA) scale, Clinical Dementia Rating (CDR) scale, Activity of Daily Living (ADL) scale, and Neuropsychiatric Inventory (NPI) questionnaire, aiming to determine the behavioral ability of patients. ELISA kit was purchased to determine the levels of GSDMD, T‐Tau, Tau181p, and Aβ1–42 in cerebrospinal fluid, and the expression of inflammatory factors, IL‐1β and IL‐6, was also detected.

Results

(1) The levels of GSDMD, T‐Tau, and Tau181p in the cerebrospinal fluid were higher in patients with AD than those of patients with VD and healthy controls, while the levels of Aβ1‐42 in the cerebrospinal fluid were lower in patients with AD than that in healthy controls and patients with VD. (2) GSDMD had good diagnostic accuracy in AD. Additionally, GSDMD, T‐Tau, Tau181p, and Aβ1‐42 had good discrimination accuracy in distinguishing AD and VD. (3) The expression levels of inflammatory factors (IL‐1β and IL‐6) in cerebrospinal fluid were higher in patients with AD than those of healthy controls and patients with VD, which were positively correlated with GSDMD expression.

Conclusion

The expression of GSDMD was increased in patients with AD, which could be used as a biomarker for AD diagnosis and identification from VD.
CoreValve bioprosthesis dysfunction treated with a Sapien 3 valve‐in‐valve transcatheter aortic valve replacement and BASILICA technique
Authors: Sharma Ravi K , Tuttle Mark K , Poulin Marie‐France , Laham Roger J
Published: February 2021

Structural deterioration of transcatheter heart valve (THV) has been previously described. With the expansion of transcatheter aortic valve replacement (TAVR) indications toward treating lower risk patients with longer life expectancy, there will be increased necessity of managing the patients with THV dysfunction including those at risk for coronary obstruction or sinus sequestration. Coronary access also remains a challenge in such cases with THV dysfunction undergoing valve‐in‐transcatheter heart valve (ViTHV) TAVR. A unique and first reported case of THV deterioration treated with Sapien 3 ViTHV‐TAVR inside a 31 mm CoreValve bioprosthesis along with left coronary leaflet laceration using the BASILICA technique has been presented.
Different preparation methods affect the phenolic profiles and antioxidant properties of Qingke barley foods
Authors: Tuersuntuoheti Tuohetisayipu , Wang Zhenhua , Zhang Min , Pan Fei , Liang Shan , Sohail Amjad , Li Meng , Wang Kaiyun , Asimi Sailimuhan , Khurshid Madiha , Wang Xinyue
Published: February 2021

Background and objectives

Barley is rich in bioactive compounds and can prevent some chronic diseases. With the increasing health awareness of the consumers, Qingke barley has been widely consumed in China in the Qingke barley fresh noodles (QBFN), Qingke barley dried noodles (QBDN), Qingke barley bread (QBB), and Qingke barley Chinese steamed bread (QBSB) forms. Preparation methods affect the phenolic profiles, content, and antioxidant capacity of these products. In this work, phenolic profiles and antioxidant activities of the above products were evaluated, and the effects of different preparation methods on the release of phenolic compounds were explained from the perspective of the destruction of the protein–phenol interaction by molecular docking method.

Findings

The main free phenols in these products were gallic acid, ferulic acid, and phloroglucinol, while the main bound phenols were syringic acid, epicatechin, and quercetin. The different preparation methods altered the free and bound phenolic compounds’ contents in different degrees. Compared with the mixed flour, the finished products showed fairly higher DPPH. Scavenging and reduction capacity, and QBB, QBSB showed a higher antioxidant capacity than the QBFN and QBDN. Molecular docking results predicted that phenols and proteins in these products form phenol–protein complexes bounded by hydrogen and hydrophobic bonds. Different preparation methods would breakdown these bonds, resulting in the release of phenolic compounds.

Conclusion

Different preparation methods changed the phenolic compounds content and antioxidant capacity in different degrees, QBB and QBSB have higher level of phenolic content and better antioxidant capacity than QBFN and QBDN. Different preparation methods may breakdown hydrogen and hydrophobic bonds between protein and phenolic compounds by different degrees, resulting in the release of phenolic compounds.
Distal retrieval of dislodged and migrated guidewires after retrograde puncture of the deep femoral and dorsal pedal artery. A case series
Authors: Korosoglou Grigorios , Giusca Sorin , Antaredja Muliadi , Schmidt Andrej , Blessing Erwin
Published: February 2021

We report on retrograde retrieval of the soft end of dislodged guidewires during complex interventions. Interventionalists may consider this as an option for the endovascular management of this complication if an antegrade retrieval is not possible or fails.
Derived CuSn Alloys from Heterointerfaces in Bimetallic Oxides Promote the CO2 Electroreduction to Formate
Authors: Ning Baoxing , Chang Wanjun , Liu Miaomiao , Jiang Hao , Li Chunzhong
Published: February 2021

Electroreduction of CO2 into valuable chemicals provides a promising strategy for mitigating excessive CO2 emissions and storing intermittent renewable energy. Herein, SnO2/CuOnanoparticle composites (NCs) with rich heterointerfaces were designed for selectively converting CO2 into liquidus formate. Distinct from only monometallic phase evolved in physically‐mixed samples, Cu and Sn atoms at the heterointerfaces were in‐situ reduced into alloys under working conditions. With residual SnOx/CuOx stabilizing the CO2.− intermediate, CuSn alloys can obviously suppress the undesired hydrogen evolution reaction and then enhance the catalytic selectivity. In a H‐type cell, as‐obtained SnO2/CuO NCs exhibit Faraday efficiency (FE) of 89.3 % and current density of 18.34 mA cm−2 for formate, which is stable for 30 h at −1.0 V vs. RHE. Impressively, the formate current density of 310 mA cm−2 is achieved in a flow cell. Moreover, constructing efficient samples by the heterointerfaces engineering would provide an inspiration for designing novel electrocatalysts.
Application of Polyimide‐based Microfluidic Devices on Acid‐catalyzed Hydrolysis of Dimethoxypropane
Authors: Bobers Jens , Forys Elisabeth , Oldach Bastian , Kockmann Norbert
Published: February 2021

Microfluidic devices intensify transport phenomena and can improve chemical processes. New manufacturing processes and materials are perpetually developed due to constantly growing interest in process intensification. In this contribution, the authors present the design and application of polyimide‐foil‐based microfluidic mixing devices manufactured by reactive ion etching. As appropriate model reaction system, acid‐catalyzed 2,2‐dimethoxypropane (DMP) hydrolysis was chosen and investigated in three different mixing structure with varying flow rate. Energy dissipation rates were calculated to estimate mixing performances. The results show good mixing quality for Reynolds numbers between 10 and 100 and similar mixing times scales for all investigated microstructured mixers.
Numerical analysis of hydrodynamic characteristics and interphase coupling in a gas‐solid cyclone reactor
Authors: Li Anjun , Wang Zhenbo , Zhu Liyun , Wang Ziyi , Xu Xiaogang , Fang Liang
Published: February 2021

A down‐flow gas‐solid cyclone reactor (GSCR) for fluidized catalytic cracking process was proposed to solve the side reactions. Comprehensive three‐dimensional numerical models were established to interpret its gas‐solid flow features, where the continuous phase and dispersed phase were modelled in the Eulerian grid and Lagrangian framework, respectively. Simulation results show that the four‐way approach has a better prediction of gas‐solid flow hydrodynamics in GSCR than the two‐way approach, and the numerical pressure drop agreed well with the experimental data. Most catalysts accumulated on the wall when descending and the phase interface structure composed of internal pure gas and external mixtures was subsequently formed. The radial distribution of tangential velocity was almost hump shaped. Tangential and axial kinetic energies accounted for 92.49%–95.45% of total kinetic energy and were thus dominant. In the dilute condition, the oscillatory behaviour of particle concentration was more severe than that of gas velocities, and particle concentration and gas tangential velocity had the same dominant frequency (~2.6 Hz). As the particulate loading increased tenfold, the hydrodynamic characteristics became rather complex.
Advances in peroxide‐initiated graft modification of thermoplastic biopolyesters by reactive extrusion
Authors: Tiwary Praphulla , Najafi Naqi , Kontopoulou Marianna
Published: February 2021

We report recent advances in the solvent‐free reactive extrusion of thermoplastic biopolyesters, in the presence of peroxide initiators and tri‐functional cross‐linking/ chain extending agents. The resulting compounds have improved processability and properties compared to the starting materials, including higher melt strength due to long‐chain branching, higher crystallinity, faster crystallization kinetics, and improved mechanical properties. We demonstrate that these strategies are effective in thermoplastic biopolyesters, such as poly(lactide) (PLA) and various poly(hydroxyalkanoates) (PHAs), including poly(hydroxybutyrate) (PHB), and medium‐chain length PHAs. In addition to the improvements in properties, this approach has significant benefits in polymer processing operations, including blend compatibilization, and foaming. We also demonstrate that crosslinked PLA particles prepared by reactive extrusion using peroxide and a tri‐functional coagent, serve as very effective nucleating additives, resulting in crystallization half‐times as low as 1 min, and heat deflection temperature as high as 140°C. These modifications do not have adverse effects on the hydrolytic degradation characteristics of PLA.
Head and neck cancer staging: Balancing innovation with consistency
Authors: Lydiatt William M.
Published: February 2021

Ho et al suggest modifications to the pathological staging of oropharyngeal carcinoma. Their recommendations are placed into a broader context of some of the competing principles of cancer staging.
Realizing zT Values of 2.0 in Cubic GeTe
Authors: Cao Jing , Chien Sheau Wei , Tan Xian Yi , Tan Chee Kiang Ivan , Zhu Qiang , Wu Jing , Wang Xizu , Zhao Yunshan , Yang Le , Yan Qingyu , Liu Hongfei , Xu Jianwei , Suwardi Ady
Published: February 2021

Over the past two years, GeTe has quickly cemented its place as the best performing thermoelectric material at a medium temperature range. The key factors behind the extraordinary performance lie in its favourable electronic and thermal properties, which arise from its unique crystal structure. The slight rhombohedral distortion at temperatures below 700 K results in lower lattice thermal conductivity while maintaining high electronic properties via high level of band‐convergence. In addition, while GeTe has a cubic structure above 700 K, the local atomic disorder persists, which maintains its low thermal conductivity. To date, the understanding of the temperature‐dependent thermoelectric properties of cubic GeTe at room temperature and above is very limited. This is due to the difficulties in stabilizing cubic GeTe at low temperatures. In this work, we leverage on low level of Ti doping to stabilize cubic‐phase GeTe at room temperature and elucidate its temperature‐dependent electronic and thermal properties. Further doping with In, Cu, Sb, and Pb results in zT as high as 2 at 773 K, and high average zT of 1.4 between 300 and 800 K.
Two‐Step Thermal Annealing: An Effective Route for 15 % Efficient Quasi‐2D Perovskite Solar Cells
Authors: Romano Valentino , Najafi Leyla , Sutanto Albertus Adrian , Schileo Giorgio , Queloz Valentin , Bellani Sebastiano , Prato Mirko , Marras Sergio , Nazeeruddin Mohammad Khaja , D'Angelo Giovanna , Bonaccorso Francesco , Grancini Giulia
Published: February 2021

Low‐dimensional perovskites (LDP) are nowadays recognized as promising materials for the realization of highly performing photovoltaic cells. However, issues related to film morphology, composition, crystal quality and material homogeneity limit the device performances and reproducibility. In this work, we implement a robust method for the deposition of a LDP mixing methylammonium (MA) and phenylethylammonium (PEA) cations to create the mixed system (PEA)2MA39Pb40I121 by using a two‐step thermal annealing treatment (at 60 and 100 °C). Our approach results in LDP films with high crystal quality and enhanced carrier lifetime, which double the power conversion efficiency of reference devices, reaching up to 15 %.
N‐Alkylated Aromatic Poly‐ and Oligoamides
Authors: Akhdar Ayman , Gautier Arnaud , Hjelmgaard Thomas , Faure Sophie
Published: February 2021

N‐alkylated aromatic poly‐ and oligoamides are a particular class of abiotic foldamers that is deprived of the capability of forming intramolecular hydrogen‐bonding networks to stabilize their tri‐dimensional structure. The alkylation of the backbone amide nitrogen atoms greatly increases the chemical diversity accessible for aromatic poly‐ and oligoamides. However, the nature and the conformational preferences of the N,N‐disubstituted amides profoundly modify the folding properties of these aromatic poly‐ and oligoamides. In this Review, representative members of this class of aromatic poly‐ and oligoamides will be highlighted, among them N‐alkylated phenylene terephthalamides, benzanilides, pyridylamides, and aminomethyl benzamide oligomers. The principal synthetic pathways to the main classes of N‐alkylated aromatic polyamides with narrow to broad molecular‐weight distribution, or oligoamides with specific sequences, will be detailed and their foldameric properties will be discussed. The Review will end by describing the few applications reported to date and future prospects for the field.
Silver Ion Release Accelerated in the Gastrovascular Cavity of Hydra vulgaris Increases the Toxicity of Silver Sulfide Nanoparticles
Authors: Kang Jae Soon , Park June-Woo
Published: February 2021

Silver nanoparticles (Ag-NPs) streamed into aquatic environments are chemically transformed into various forms, and one of the predominant forms is silver sulfide NPs (Ag2S-NPs). Because of the lower dissolution rate of silver ions (Ag+), the toxicity of Ag2S-NPs could be lower than that of Ag-NPs. However, the toxicity of Ag2S-NPs has been observed to be restored under oxidative or acidic conditions. In the present study, 4 aquatic organisms, Pseudokirchneriella subcapitata (algae), Daphnia magna (crustacean), Danio rerio (fish), and Hydra vulgaris (cnidarian), were exposed to Ag2S-NPs transformed from Ag-NPs using Na2S under anoxic conditions; and acute toxicity was evaluated. The acute toxicity of Ag2S-NPs was rarely observed in algae, crustaceans, and fish, whereas it was significantly restored in cnidarians. Although the dissolution rate was low in the medium exposed to Ag2S-NPs, high Ag+ was detected in H. vulgaris. To understand the mechanisms of Ag2S-NP toxicity in cnidarians, transcriptional profiles of H. vulgaris exposed to Ag-NPs, Ag2S-NPs, and AgNO3 were analyzed. As a result, most of the genes that were significantly changed in the Ag2S-NPs group were also found to be significantly changed in the AgNO3 group, indicating that the toxicity of Ag2S-NPs was caused by Ag+ dissolved by the acidic condition in the gastrovascular cavity of H. vulgaris. This finding is the first in an aquatic organism and suggests the need to reconsider the stability and safety of Ag2S-NPs in the aquatic environment. Environ Toxicol Chem 2021;40:1662–1672. © 2021 SETAC

Abstract

The decreased dissolution rate of silver ion (Ag+) in the silver sulfide nanoparticles (Ag2S-NPs) lowers the toxicity to many aquatic organisms. However, the dissolution rate of Ag2S-NPs in the gastrovascular cavity of Hydra vulgaris is increased, which leads to the increase of toxicity. Ag-NPs = silver nanoparticles; Ag2S-NPs = silver sulfide nanoparticles.
Ungaged inflow and loss patterns in urban and agricultural sub‐reaches of the Logan River Observatory
Authors: Tennant Hyrum , Neilson Bethany T. , Miller Matthew P. , Xu Tianfang
Published: February 2021

Streams in semi‐arid urban and agricultural environments are often heavily diverted for anthropogenic purposes. However, they simultaneously receive substantial inflows from a variety of ungaged sources including stormwater returns, tile drainage, and irrigation runoff that help sustain flow during dry periods. Due to the inability to identify sources or directly gage many of these inflows, there is a clear need for methods to understand source origination while quantifying potential gains and losses over highly impacted reaches. In the context of the Logan River Observatory, historical gage data illustrate the importance of ungaged and unidentified inflows on maintaining or enhancing flows in both urban and agricultural reaches containing large diversions. To understand the inflows in this portion of the Logan River, we first analysed water samples for ions collected from a subset of representative inflow sources and applied clustering analyses to establish inflow source classifications and associated ion concentration ranges. These representative concentration ranges, combined with mainstem flow and river ion samples taken at sub‐reach scales, allow for the application of flow and mass balances to quantify inflow rates from different sources as well as any losses. These calculations demonstrate significant gains and losses occurring in many sub‐reaches during three sampling events. The dominant land use (urban or agriculture) and flow regime at the time of sampling were the primary drivers of gains and losses. These exchanges were found to be most important below large diversions during low flow conditions. This highlights the need to classify inflow sources (urban or agriculture, surface or groundwater) and estimate their contributions to anticipate instream consequences of land use and water management decisions. As irrigation and water conveyance practices become more efficient, a portion of these ungaged inflows could be diminished or eliminated, thus further depleting streamflow during dry periods.
Theoretical calculations and anahrmonic effect analysis for the conversion of nitrogen radical in burning reaction
Authors: Yu Hongjing , Xia Wenwen , Chen Yuanpeng , Yao Li
Published: February 2021

The purpose of this research is that clearly comprehends the conversion and reaction mechanism of N radical in burning reaction. The harmonic and anharmonic rate constants of the related reactions were calculated by the transition state (TS) theory and Yao and Lin (YL) method. And the kinetic and thermodynamic parameters considering anharmonic and harmonic factor were fitted respectively. In conclusion, the anharmonic effect cannot be ignored on the reaction process of N radical conversion. Besides, the simulation by CHEMKIN will be carried out by the fitted results in the future work. Therefore, the calculation can provide theoretical basis for the further research of the N‐related reactions, such as on the aspect of the removal of NOx.
Pharmacokinetic Evaluation of Blonanserin Transdermal Patch: Population Analysis and Simulation of Plasma Concentration and Dopamine D2 Receptor Occupancy in Clinical Settings
Authors: Kitamura Atsushi , Takagaki Takeshi , Nemoto Daisuke , Tomita Yoshiko , Nishibe Hironori , Kakuyama Hiroyoshi
Published: February 2021

Blonanserin is an atypical antipsychotic drug with high affinity and selective antagonism for dopamine D2 and D3 and serotonin 5‐HT2A receptors. Blonanserin transdermal patch is the first transdermal formulation developed for the treatment of schizophrenia. The purpose of this population pharmacokinetic (PPK) analysis was to evaluate the characteristics of blonanserin pharmacokinetics after transdermal patch application, to estimate the daily fluctuation in blonanserin plasma concentration, and to evaluate the impact of patch application noncompliance to support usage in clinical settings. A total of 3747 plasma blonanserin concentrations from 9 clinical studies (93 healthy volunteers and 348 patients with schizophrenia) were used in the PPK analysis. The plasma concentration was predicted using the final PPK model, and dopamine D2 receptor occupancy was estimated on the basis of the results of a separately reported positron emission tomography study. A 2‐compartment, parallel zero‐order absorption with a lag time and first‐order elimination model was developed to describe the pharmacokinetics of blonanserin, including the change in absorption rate during patch application. The maximum/minimum ratio of plasma concentration was estimated as 1.10 at steady state, indicating minimal fluctuation. In the case of failure to remove the previous patch or a missing application, the increase or decrease in plasma concentration and dopamine D2 receptor occupancy was <20%. These results indicated that the plasma blonanserin concentration and dopamine D2 receptor occupancy were stable after blonanserin transdermal patch application, which may lead to improved tolerability during the treatment of patients with schizophrenia.
Use of Real‐World Data and Pharmacometric Modeling in Support of Lacosamide Dosing in Pediatric Patients Under 4 Years of Age
Authors: Lukka Pradeep B. , Woods Megan , Chhim Rebecca , Phelps Stephanie J. , Wheless James W. , Meibohm Bernd
Published: February 2021

The antiepileptic drug lacosamide (LCM) is approved in the United States and the European Union as monotherapy as well as adjunctive therapy for the treatment of focal seizures in children ≥4 years of age and adults. Using real‐world therapeutic drug monitoring data, we performed a pharmacometric analysis for 315 pediatric patients (>1 month to <18 years of age) who received lacosamide as both monotherapy and adjunctive therapy. Population pharmacokinetic modeling was performed using nonlinear mixed‐effects modeling with a 1‐compartment structural model with linear elimination, where clearance and volume of distribution were allometrically scaled for body weight, with no further need for age‐associated maturation functions. A covariate analysis for age, sex, race, and coadministration of other antiepileptic drugs identified phenobarbital and felbamate to significantly increase lacosamide clearance (1.71‐ and 1.46‐fold, respectively). Based on the developed population pharmacokinetic model, simulations were performed in virtual pediatric patients to explore age‐associated dose requirements to match lacosamide exposure in patient groups of different age with the exposure achieved in children ≥4 year of age with the weight‐based dosing recommendations provided by the US Food and Drug Administration. Based on this approach, our analysis suggested that children ≥3 years of age needed the same dose as recommended by the US Food and Drug Administration for children ≥4 years of age (12 mg/kg/d), while children 1 to 3 years of age may need 13 to 14 mg/kg/d and infants between 1 month and 1 year of age may need 15 to 18 mg/kg/d (based on their actual age) to match the exposure seen in children ≥4 years of age.
An overview of the synthetic routes to Faipiravir and their analogous
Authors: Gouda Moustafa A. , Qurban Jihan
Published: February 2021

The biological and medicinal properties of Favipiravir and its analogs have prompted enormous research aimed at developing synthetic routes to these heterocycles. This review focuses on the chemical properties associated with this system.
Preference for daily versus on‐demand pre‐exposure prophylaxis for HIV and correlates among men who have sex with men: the China Real‐world Oral PrEP Demonstration study
Authors: Zhang Jing , Xu Jun‐Jie , Wang Hong‐Yi , Huang Xiao‐Jie , Chen Yao‐Kai , Wang Hui , Chu Zhen‐Xing , Hu Qing‐Hai , He Xiao‐Qing , Li Yao , Zhang Lu‐Kun , Hu Zhi‐Li , Bao Ran‐Tong , Li Shang‐Cao , Li Hang , Ding Hai‐Bo , Jiang Yong‐Jun , Geng Wen‐Qing , Sylvia Sean , Shang Hong ,   the CROPrEP Group
Published: February 2021

Introduction

This study explores the preference for daily versus on‐demand pre‐exposure prophylaxis (PrEP) among men who have sex with men (MSM) in developing countries when both regimens are available.

Methods

From 11 December 2018 to 19 October 2019, we recruited MSM for an open‐label real‐world PrEP demonstration study in four major cities in China. Subjects selected their preferred PrEP (oral tenofovir/emtricitabine) regimen (daily vs. on‐demand) at recruitment and underwent on‐site screening before initiation of PrEP. We used logistic regression to assess preference for daily PrEP and correlates.

Results

Of 1933 recruited MSM, the median age was 29 years, 7.6% was currently married to or living with a female; the median number of male sexual partners was four and 6.1% had used post‐exposure prophylaxis (PEP) in the previous six months. HIV infection risk was subjectively determined as very high (>75%) in 7.0% of subjects, high (50% to 75%) in 13.3%, moderate (25% to 49%) in 31.5% and low or none (0% to 24%) in 48.1%. On average, participants preferred on‐demand PrEP over daily PrEP (1104 (57.1%) versus 829 (42.9%)) at recruitment. In multivariable analysis, currently being married to or living with a female was associated with 14.6 percentage points lower preference for daily PrEP (marginal effect = −0.146 [95% CI: −0.230, −0.062], p = 0.001); whereas the number of male sexual partners (marginal effect = 0.003 [95% CI: 0.000, 0.005], p = 0.034) and a subjective assessment of being very high risk of HIV infection (vs. low and no risk, marginal effect size = 0.105 [95% CI: 0.012, 0.198], p = 0.027) were associated with increased preference for daily versus on‐demand PrEP. Among the 1933 potential participants, 721 (37.3%) did not attend the subsequent on‐site screening. Lower‐income, lower education level, lower subjective expected risk of HIV infection risk and younger age positively correlated with the absence of on‐site screening.

Conclusions

MSM in China prefer both daily and on‐demand PrEP when both regimens are provided free. Social structural factors and subjective risk of HIV infection have significant impacts on PrEP preference and use. The upcoming national PrEP guideline should consider incorporating both regimens and the correlates to help implement PrEP in China.
SARS‐CoV‐2 infection affects the lower urinary tract and male genital system: A systematic review
Authors: Creta Massimiliano , Sagnelli Caterina , Celentano Giuseppe , Napolitano Luigi , La Rocca Roberto , Capece Marco , Califano Gianluigi , Calogero Armando , Sica Antonello , Mangiapia Francesco , Ciccozzi Massimo , Fusco Ferdinando , Mirone Vincenzo , Sagnelli Evangelista , Longo Nicola
Published: February 2021

PubMed, Scopus, and ISI Web of Knowledge databases were searched to identify studies published up to December 2020 on the involvement of urinary and male genital systems in COVID‐19. Sixteen studies involving a total of 575 patients (538 males and 37 females) were included in this systematic review. The COVID‐19 phase was available for 479 patients: 426 in the acute and 53 in the recovery phase. De novo lower urinary tract symptoms (LUTS) were observed in 43 patients and deterioration of pre‐existing LUTS in 7. Bladder hemorrhage was observed in three patients and acute urinary retention in one. Regarding the male genital system, scrotal discomfort was observed in 8 patients, swelling in 14, pain in 16, and erythema in 1; low flow priapism was observed in 2 patients. Ultrasound examination identified acute orchitis in 10 patients, acute epididymitis in 7, and acute epididymo‐orchitis in 16. A case–control study reported that patients with moderate COVID‐19 show a significant reduction in sperm concertation, the total number of sperms per ejaculate, progressive motility, and complete motility. In contrast to what is known from the first studies on the subject, this review also includes subsequent studies that give evidence of the involvement of the lower urinary tract and male genital system in COVID‐19.