bluuebunny/crossref_metadata_2025 huggingface dataset:
Split‐dose 1 L polyethylene glycol (PEG) with ascorbate is non‐inferior to split‐dose PEG with sodium picosulfate and magnesium citrate with similar tolerability: a randomized study
Authors: Nalankilli Kumanan , Gibson David J , Anwar Shahzaib , Con Danny , Chen Helen , Secomb Robyn , Gibson Peter , Brown Gregor
Published: August 2021

Background and Aim

Post‐marketing studies comparing low‐volume polyethylene glycol (PEG)‐based regimens are limited. This randomized study aimed to compare the efficacy and tolerability of a novel 1‐L low‐volume PEG‐based preparation: 1 L PEG+Asc (PEG3350, sodium ascorbate, sodium sulfate, ascorbic acid, sodium chloride, and potassium chloride) with PEG+SPMC (PEG3350, sodium chloride, potassium chloride and sodium sulfate, sodium picosulfate, magnesium oxide, citric acid, and aspartame), prior to routine colonoscopy at an Australian tertiary referral center.

Methods

Outpatients undergoing colonoscopy were randomized to receive either split‐dose 1 L PEG+Asc or split‐dose PEG+SPMC. Bowel preparation quality using the Boston Bowel Preparation Scale (BPPS), modified Aronchick scores, procedure time, cecal intubation, and adenoma detection rates were recorded. Patient compliance and tolerability were captured using a standardized questionnaire.

Results

A total of 173 patients were randomized, of whom 164 completed the study and were allocated to 1 L PEG+Asc (n = 82) or PEG+SPMC (n = 82). Non‐inferiority of 1 L PEG+Asc was demonstrated with 89% achieving successful preparation (total BPPS ≥6 and each sub‐score ≥2) compared with 85.4% in the PEG+SPMC group, resulting in an estimated difference of 3.7% (95% CI −6.6% to 13.9%). The median BBPS was non‐inferior in all colonic segments with 1 L PEG+Asc (BBPS 3 [interquartile range 2–3]) vs PEG+SPMC (BBPS 2 [interquartile range 2–3]). More 1 L PEG+Asc patients reported moderate to severe nausea (P = 0.028), but overall tolerability was similar.

Conclusions

The quality of bowel preparation achieved with 1 L PEG+Asc is non‐inferior to that with PEG+SPMC, with similar tolerability outcomes. Further studies are required in patients at risk of suboptimal bowel preparation.
Evaluation of Tropical Rainfall Measuring Mission, Integrated Multi‐satellite Retrievals for GPM, Climate Hazards Centre InfraRed Precipitation with Station data, and European Centre for Medium‐Range Weather Forecasts Reanalysis v5 data in estimating precipitation and capturing meteorological droughts over Iran
Authors: Keikhosravi‐Kiany Mohammad Sadegh , Masoodian Seyed Abolfazl , Balling Robert C. , Darand Mohammad
Published: August 2021

Satellite remote‐sensing products with high spatial and temporal resolution are viable sources of precipitation information, especially for data‐sparse and remote regions. The aim of this study is to examine the performance of four precipitation products including Integrated Multi‐satellite Retrievals for GPM (GPM IMERG), Tropical Rainfall Measuring Mission (TRMM 3B43), Climate Hazards Centre InfraRed Precipitation with Station data (CHIRPS), and European Centre for Medium‐Range Weather Forecasts Reanalysis v5 (ERA5) in estimating precipitation and capturing meteorological droughts over Iran for the time span from 2001 to 2019. For this aim, a ground‐based gridded precipitation dataset was constructed over the country using a dense network of quality‐controlled rain gauges as a reference dataset. Different statistical metrics including the correlation coefficient (CC), the bias, the relative bias, and the root mean square error (RMSE) were applied to evaluate the performance of the products. The results suggest that GPM IMERG and TRMM 3B43 outperform CHIRPS and ERA5 in capturing the spatial distribution of precipitation and meteorological drought events across the country. The estimates of precipitation from the four products are seasonally influenced, with the least accurate precipitation estimates during summer season over the southern shores of the Caspian Sea. The GPM IMERG and TRMM 3B43, with higher CC and lower RMSE, show better performance in detecting drought events at both short and long time scales while the CHIRPS demonstrates the least accuracy. Spatially, all of the products show the best performance in identifying drought events over western and southwestern regions.
Raman spectroscopic and elemental analysis of bone from a prehistoric ancestor: Mrs Ples from the Sterkfontein cave
Authors: Edwards Howell G. M. , Carter Elizabeth A. , Kelloway Sarah J. , Privat Karen L. , Harrison Thérèse M.
Published: August 2021

The complementary value of analytical elemental and molecular data for archaeological relics recovered from a burial deposition is illustrated here with the non‐destructive analysis of bone specimens from an early human ancestor, known as Mrs Ples. Discovered in 1947 by Robert Broom in the Sterkfontein Cave system, forming part of the Cradle of Humankind in Gauteng Province, South Africa, a skull from Australopithecus africanus dated to 2.1 Mya has been identified as a Hominidae precursor to Homo sapiens. The ability to record novel compositional and structural data from such specimens without any form of chemical or mechanical pretreatment is fundamentally necessary for the preservation of such unique relics while affording conservators the information needed to undertake restoration and the adoption of conservation strategies. Our analyses revealed information about the state of preservation of the samples as well as their depositional context. Raman microspectroscopic mapping produced data on the spatial distribution of phosphate, quartz, carbon, calcite and manganese dioxide signatures on the bone fragments. Extensive deposits of pyrolusite, manganese(II) oxide, on the bone specimens are attributed to hydrogeological processes from ground water irrigation of the skeletal remains in the depositional environment; the identification of distinct quartz‐ and calcite‐rich areas may arise from taphonomic and/or depositional processes. Raman spectroscopic signatures of the organic proteinaceous component of the prehistoric bone are not observed, indicating the degradation of endogenous organics or, if present, were masked by exogeneous materials. The identification of carbon could additionally reflect the remains of biodegradative processes that have operated in the burial site. Elemental mapping using X‐ray fluorescence and variable pressure scanning electron microscopy imaging and spatially resolved energy dispersive X‐ray spectroscopy provided complementary information about the samples. The result is a comprehensive characterisation of the samples' morphology, elemental and molecular composition from the micro scale to the macroscale, using entirely non‐destructive analytical techniques.
Effect of slicing and storage temperatures on biochemical aspects of membrane integrity in two different genotypes of tomato
Authors: Natalini Alessandro , Martinez‐Diaz Vanesa , Ferrante Antonio , Pardossi Alberto
Published: August 2021

BACKGROUND

Fresh‐cut vegetables are subjected to multiple stressing agents including: (i) slicing, which induces cellular decompartmentalization; (ii) low refrigeration temperatures, responsible for chilling injury in the most sensitive products (e.g. tomatoes), and (iii) storage time because tissue senescence and aging can occur and reduce the shelf‐life. In tomato slices, one of the most important issues is the membrane, which is responsible for several disorders related to the alteration of physiological processes, including ethylene biosynthesis.

RESULTS

Electrolyte leakage and the content of thiobarbituric acid reactive substances in sliced tomatoes increased over time at two storage temperatures (4 °C and 15 °C) compared with intact fruit for the commercial variety (cultivar) Jama used as reference. However, in the tomato Italian landrace Canestrino, electrolyte leakage in sliced fruits increased after 120 h of storage compared to intact tomatoes, while the thiobarbituric acid reactive substance content increased rapidly over time at both storage temperatures. In the packages, higher ethylene content and carbon dioxide concentrations were detected in sliced tomatoes compared with intact fruits for both genotypes. In the most sensitive genotype for slicing (Jama), phospholipase C activity increased in tomato slices after 24 h of storage, but phospholipase D reached a higher value only at 168 h after processing at 4 °C of storage.

CONCLUSIONS

The results evidence that the main damage in slices of full ripe tomatoes is more related to cutting, rather than chilling injury due to storage temperatures, with differences related to the genotype. Slicing enhanced membrane catabolism, ethylene production, and enzyme activity of phospholipases with a significant genotype effect. © 2021 Society of Chemical Industry.
Negative pressure irrigation on water use efficiency, yield and quality of Brassica chinensis L.
Authors: Yang Pingguo , Drohan Patrick J , Long HuaiYu , Bian Yun , Bryant Ray B
Published: August 2021

BACKGROUND

Water is critical to the production of crops, especially when faced with seasonal drought or freshwater scarcity. We compared the effect of negative pressure irrigation (NPI) on water use efficiency (WUE), nutrient uptake, yield and quality of Brassica chinensis L. using a greenhouse plot experiment. Three different water supply pressures (−5, −10 and −15 kPa), and a conventional irrigation (CK) treatment, were arranged in a randomized design with three replications.

RESULTS

Our results suggest that plant height, leaf area, number of leaves and ratio of root to shoot were significantly correlated with water supply pressure. Specifically, our results show that B. chinensis L. yield was increased 50% with NPI versus CK. Water supply pressure had a significant effect on N and P nutrient uptake and no significant effect on K. The average concentration of vitamin C was greatest with −5 kPa treatment and consecutively declined. According to our results, NPI can save up to 36.8% of water used and improve WUE by 61.3% during growth of B. chinensis L. Our results suggest that the optimum irrigation management strategy is −5 kPa treatment.

CONCLUSION

NPI versus CK can provide more stable irrigation water and retain soil moisture during plant growth, resulting in an increased WUE and yield with suitable water supply pressure. While our results suggest that NPI can enhance B. chinensis L. yield and perhaps also quality, future research should explore the mechanism of NPI in relation to yield and water use efficiency. © 2021 Society of Chemical Industry.
Preparation, investigation and storage application of thymol–chitooligosaccharide complex with enhanced antioxidant and antibacterial properties
Authors: Cao Ruge , Liu Xinru , Zhai Xuqing , Wang Lili , Zhou Zhongkai
Published: August 2021

BACKGROUND

Thymol (Thy) is a natural bioactive agent which possesses various properties and has been widely used in medicine and food industries. However, its poor bioavailability can limit its application.

RESULTS

In this study, Thy was interacted with chitooligosaccharide (COS) as Thy–COS complex via an ionic crosslinking method using sodium tripolyphosphate as a crosslinker. The characteristics and thermal stability of Thy–COS were evaluated by ultraviolet‐visible (UV‐vis), Fourier‐transform infrared (FTIR) spectroscopy, proton nuclear magnetic resonance (1H‐NMR) and thermogravimetric analysis, and its antioxidant and antibacterial properties were also evaluated. The highest loading capacity of Thy (52.3%) in Thy–COS formed at mass ratio of 1:5. Results indicated the Thy–COS complex was formed mainly by hydrophobic interactions and hydrogen bonds. Upon complexation, the thermal stability, antioxidant and antibacterial activity of Thy were significantly improved. Thy–COS complex was made into a coated film for Nanguo pears and greatly improved its storage quality. Thy–COS delayed the weight loss and softening of Nanguo pears and kept more vitamin‐C content (2.12 mg (100 g)−1).

CONCLUSION

In conclusion, Thy–COS was successfully prepared and improved antioxidant and antibacterial properties of Thy, which has great potential in the food industry. © 2021 Society of Chemical Industry.
Novel Composite Endpoint for Assessing Outcomes in Liver Transplantation: Arterial and Biliary Complication–Free Survival
Authors: Savier Eric , De Rycke Yann , Lim Chetana , Goumard Claire , Rousseau Geraldine , Perdigao Fabiano , Rufat Pierre , Salloum Chady , Llado Laura , Ramos Emilio , Lopez‐Dominguez Josefina , Cachero Alba , Fabregat Joan , Azoulay Daniel , Scatton Olivier
Published: August 2021

Transplant and patient survival are the validated endpoints to assess the success of liver transplantation (LT). This study evaluates arterial and biliary complication–free survival (ABCFS) as a new metric. ABC, considered as an event, was an arterial or biliary complication of Dindo‐Clavien grade ≥III complication dated at the interventional, endoscopic, or surgical treatment required to correct it. ABCFS was defined as the time from the date of LT to the dates of first ABC, death, relisting, or last follow‐up (transplant survival is time from LT to repeat LT or death). Following primary whole LT (n = 532), 106 ABCs occurred and 99 (93%) occurred during the first year after LT. An ABC occurring during the first year after LT (overall rate 19%) was an independent factor associated with transplant survival (hazard ratio [HR], 3.17; P < 0.001) and patient survival (HR, 2.7; P = 0.002) in univariate and multivariate analyses. This result was confirmed after extension of the cohort to split‐liver graft, donation after circulatory death, or re‐LT (n = 658). Data from 2 external cohorts of primary whole LTs (n = 249 and 229, respectively) confirmed that the first‐year ABC was an independent prognostic factor for transplant survival but not for patient survival. ABCFS was correlated with transplant and patient survival (ρ = 0.85 [95% CI, 0.78‐0.90] and 0.81 [95% CI, 0.71‐0.88], respectively). Preoperative factors known to influence 5‐year transplant survival influenced ABCFS after 1 year of follow‐up. The 1‐year ABCFS was indicative of 5‐year transplant survival. ABCFS is a reproducible metric to evaluate the results of LT after 1 year of follow‐up and could serve as a new endpoint in clinical trials.
Prediction of cutting force based on machining parameters on AL7075‐T6 aluminum alloy by response surface methodology in end milling
Authors: Sethupathy A. , Shanmugasundaram N.
Published: August 2021

Cutting forces modeling is the basic to understand the cutting process, which should be kept in minimum to reduce tool deflection, vibration, tool wear and optimize the process parameters in order to obtain a high quality product within minimum machining time. In this paper a statistical model has been developed to predict cutting force in terms of geometrical parameters such as rake angle, nose radius of cutting tool and machining parameters such as cutting speed, cutting feed and axial depth of cut. Response surface methodology experimental design was employed for conducting experiments. The work piece material is Aluminum (Al 7075‐T6) and the tool used is high speed steel end mill cutter with different tool geometry. The cutting forces are measured using three axis milling tool dynamometer. The second order mathematical model in terms of machining parameters is developed for predicting cutting forces. The adequacy of the model is checked by employing ANOVA. The direct effect of the process parameter with cutting forces are analyzed, which helps to select process parameter in order to keep cutting forces minimum, which ensures the stability of end milling process. The study observed that feed rate has the highest statistical and physical influence on cutting force.
Nitrite as a causal factor for nitrate‐dependent anaerobic corrosion of metallic iron induced by Prolixibacter strains
Authors: Iino Takao , Shono Nobuaki , Ito Kimio , Nakamura Ryuhei , Sueoka Kazuo , Harayama Shigeaki , Ohkuma Moriya
Published: August 2021

Microbially influenced corrosion (MIC) may contribute significantly to overall corrosion risks, especially in the gas and petroleum industries. In this study, we isolated four Prolixibacter strains, which belong to the phylum Bacteroidetes, and examined their nitrate respiration‐ and Fe0‐corroding activities, together with two previously isolated Prolixibacter strains. Four of the six Prolixibacter strains reduced nitrate under anaerobic conditions, while the other two strains did not. The anaerobic growth of the four nitrate‐reducing strains was enhanced by nitrate, which was not observed in the two strains unable to reduce nitrate. When the nitrate‐reducing strains were grown anaerobically in the presence of Fe0 or carbon steel, the corrosion of the materials was enhanced by more than 20‐fold compared to that in aseptic controls. This enhancement was not observed in cultures of the strains unable to reduce nitrate. The oxidation of Fe0 in the anaerobic cultures of nitrate‐reducing strains occurred concomitantly with the formation of nitrite. Since nitrite chemically oxidized Fe0 under anaerobic and aseptic conditions, the corrosion of Fe0‐ and carbon steel by the nitrate‐reducing Prolixibacter strains was deduced to be mainly enhanced via the biological reduction of nitrate to nitrite, followed by the chemical oxidation of Fe0 to Fe2+ and Fe3+ coupled to the reduction of nitrite.
Striatal Cholinergic Dysregulation after Neonatal Decrease in X‐Linked Dystonia Parkinsonism‐Related TAF1 Isoforms
Authors: Cirnaru Maria‐Daniela , Creus‐Muncunill Jordi , Nelson Shareen , Lewis Travis B. , Watson Jaime , Ellerby Lisa M. , Gonzalez‐Alegre Pedro , Ehrlich Michelle E.
Published: August 2021

Background

X‐linked dystonia parkinsonism is a generalized, progressive dystonia followed by parkinsonism with onset in adulthood and accompanied by striatal neurodegeneration. Causative mutations are located in a noncoding region of the TATA‐box binding protein‐associated factor 1 (TAF1) gene and result in aberrant splicing. There are 2 major TAF1 isoforms that may be decreased in symptomatic patients, including the ubiquitously expressed canonical cTAF1 and the neuronal‐specific nTAF1.

Objective

The objective of this study was to determine the behavioral and transcriptomic effects of decreased cTAF1 and/or nTAF1 in vivo.

Methods

We generated adeno‐associated viral (AAV) vectors encoding microRNAs targeting Taf1 in a splice‐isoform selective manner. We performed intracerebroventricular viral injections in newborn mice and rats and intrastriatal infusions in 3‐week‐old rats. The effects of Taf1 knockdown were assayed at 4 months of age with evaluation of motor function, histology, and RNA sequencing of the striatum, followed by its validation.

Results

We report motor deficits in all cohorts, more pronounced in animals injected at P0, in which we also identified transcriptomic alterations in multiple neuronal pathways, including the cholinergic synapse. In both species, we show a reduced number of striatal cholinergic interneurons and their marker mRNAs after Taf1 knockdown in the newborn.

Conclusion

This study provides novel information regarding the requirement for TAF1 in the postnatal maintenance of striatal cholinergic neurons, the dysfunction of which is involved in other inherited forms of dystonia. © 2021 International Parkinson and Movement Disorder Society
Weak solutions to the Cauchy problem of fractional time‐space Keller–Segel equation
Authors: Jiang Zi‐wen , Wang Li‐zhen
Published: August 2021

This paper investigates the Cauchy problem of the time‐space fractional parabolic‐elliptic Keller–Segel equation in
. The global existence and mass conservation of weak solutions are established. Furthermore, the decay estimates and hyper‐contractive estimates of the weak solutions in
for any 1 < r < ∞ are constructed. The existence result is obtained by the classical energy method combined with the generalized strong compactness criteria to time fractional PDEs (partial differential equations). And the proofs of decay estimates and hyper‐contractive estimates are based on the generalized comparison principle with Caputo derivative and the decay behavior of the solutions to the nonlinear fractional differential equation
with ν > 0 and γ > 1.
Solving FDE by trigonometric neural network and its applications in simulating fractional HIV model and fractional Schrodinger equation
Authors: Gao Feng , Chi Chunmei
Published: August 2021

In this paper, we put forward numerical algorithms to simulate fractional HIV infected CD4+T cell model and fractional Schrodinger equation. First, we put forward numerical algorithm to solve fractional differential systems with trigonometric neural network. Then trigonometric neural network method is used to simulate the fractional HIV infected CD4+T cell model. It is found that the infection equilibrium has the restriction condition for the number of virus particles released by each infected cell. Under this condition, the fractional system has a unique positive equilibrium. Second, we put forward numerical algorithm to solve fractional PDE with trigonometric neural network. Then this numerical method is used to simulate fractional Schrodinger equation, and some important results in fractional quantum mechanics are concluded by the corresponding numerical results.
Identification of seven psychedelic 2,5‐dimethoxy‐phenylethyl‐amine‐based designer drugs via benchtop 1H nuclear magnetic resonance spectroscopy
Authors: Araneda Juan F. , Baumgarte Marion , Lange Marie , Maier Alexander F. G. , Riegel Susanne D.
Published: August 2021

The dissemination of spectral information of new psychoactive substances (NPS) acquired on benchtop nuclear magnetic resonance (NMR) spectrometers is of high importance considering the emerging application of such portable and accessible instruments in forensic analyses. Seven members of the 2C‐X series (2C‐B, 2C‐C, 2C‐D, 2C‐E, 2C‐P, 2C‐T2, and 2C‐T7) of NPS were analyzed via 60 MHz 1H benchtop NMR spectroscopy and their molecular structural relations are discussed with respect to the observed proton NMR spectra.
Examining the meaning of the language used to communicate the nursing hand‐off
Authors: Galatzan Benjamin J. , Carrington Jane M.
Published: August 2021

The miscommunication and inconsistent recall of patient information due to cognitive lapses that occur during the hand‐off between healthcare providers account for 80% of sentinel events in acute care. Cognitive lapses are a consequence of the nurse experiencing cognitive overload, which impedes the nurse's ability to recall relevant information during and after the hand‐off communication. The primary cognitive and human factor contributing to cognitive overload in the hand‐off is language. The purpose of this study was to examine the meaning of the language used to communicate the nurse‐to‐nurse change of shift hand‐off occurring at bedside and nonbedside on a medical‐surgical unit in an urban medical center. A qualitative descriptive design was used. The sample was 10 audio‐recorded hand‐offs (five bedside and five nonbedside), with a total of 19 nurses participating. A natural language process program was used to analyze the data. The hand‐off is a narrative story centered on communicating patient information delivered with a high degree of confidence. The hand‐off is focused on past and current events with minimal focus on future or anticipated events. The drive to communicate is minimally based on concern, fear, or danger. There is a difference in the language used to communicate the nursing hand‐off message at bedside as compared to the nonbedside hand‐off.
Terephthalic Acid Copolyesters Containing Tetramethylcyclobutanediol for High‐Performance Plastics
Authors: Bhagia Samarthya , Bornani Kamlesh , Ozcan Soydan , Ragauskas Arthur J.
Published: August 2021

There is a need for high‐performance applications for terephthalic acid (TPA) polyesters with high heat resistance, impact toughness, and optical clarity. Bisphenol A (BPA) based polycarbonates and polyarylates have such properties, but BPA is an endocrine disruptor. Therefore, new TPA polyesters that are less hazardous to health and the environment are becoming popular. Tetramethylcyclobutanediol (TMCD) is a difunctional monomer that can be polymerized with TPA and other diols to yield copolyesters with superior properties to conventional TPA polyesters. It has a cyclobutyl ring that makes it more rigid than cyclohexanedimethanol (CHDM) and EG. Thus, TMCD containing TPA copolyesters can have high heat resistance and impact strength. TPA can be made from abundantly available upcycled polyethylene terephthalate (PET). Therefore, this review discusses the synthesis of monomers and copolyesters, the impact of diol composition on material properties, molecular weight, effects of photodegradation, health safety, and substitution of cyclobutane diols for future polyesters.
Effect of graphene nanoparticles on the strength of sandwich structure inspired by dragonfly wings under low‐velocity impact
Authors: Rezvani Tavakol Mehdi , Yarmohammad Tooski Mehdi , Jabbari Mohsen , Javadi Mehrdad
Published: August 2021

Dragonfly's wings are highly specialized flying organs that are well adapted to the flying behavior of each dragonfly, mainly consisting of veins and membrane. The effect of graphene nanoparticles on a novel foam‐based sandwich panel structure inspired by microstructural features of dragonfly wings has been investigated under low‐velocity impact. Composite and nanocomposite sandwich veins are made of E‐glass/epoxy layers, in which different percentages of graphene nanoparticles are combined with its resin. Polyurethane foam was also used for its core. According to the performance of the samples made after testing and cutting the samples in transverse and longitudinal directions, the internal structure of the vein was examined. Sandwich panels with this type of structure under impact can prevent damage propagation in the vein. The sandwich structure with 0.3% nano indicated more stable behavior in energy absorption and impact resistance than other samples.
Biocomposites with high strength and thermal and noise insulation by reinforcing polypropylene with stems and fibers from Arundinaria gigantea
Authors: Hu Chunyan , Vittal Jayanth , Guna Vijaykumar , Zhao Yi , Chikkamaranahalli Boganarasimhaiah Mohan , Reddy Narendra
Published: August 2021

Arundinaria gigantea commonly referred to as giant cane (GC) shows potential to be a sustainable, renewable, and low‐cost source for natural cellulose fibers and biocomposites. GC is considered a weed and is found extensively, particularly along river banks and also as canopy under forest trees. The grass is made up of stems (culms) that resemble bamboo but with smaller diameters. In this study, the possibility of extracting natural cellulose fibers from the culms and also to utilize the culms directly as reinforcement for polypropylene (PP) biocomposites has been explored. Natural cellulose fibers extracted from the culms had cellulose content of about 50%. The fibers had considerably high tensile strength of 543 MPa and elongation of 5.6%. Biocomposites with varying tensile and flexural properties could be obtained depending on the proportion of the reinforcement and matrix and density of the biocomposites. Furthermore, reinforcing PP with GC increased acoustic sorption but decreased thermal conductivity. GC offers potential to develop fibers and biocomposites with desired properties as a substitute to the conventional lignocellulosic fibers obtained from fiber crops.
Centrifugally spun poly(ethylene oxide) fibers rival the properties of electrospun fibers
Authors: Merchiers Jorgo , Martínez Narváez Carina D. V. , Slykas Cheryl , Buntinx Mieke , Deferme Wim , D'Haen Jan , Peeters Roos , Sharma Vivek , Reddy Naveen K.
Published: August 2021

Centrifugal force spinning (CFS), also known as centrifugal spinning, forcespinning, or rotary jet spinning, provides considerably higher production rates than electrospinning (ES), but the more widespread use of CFS as an alternative depends on the ability to produce fibers with robust thermal and mechanical properties. Here, we report the CFS of poly(ethylene oxide) (PEO) fibers made using a spinning dope formulated with acetonitrile (AcN) as the volatile solvent, and we describe the thermal and mechanical properties of the centrifugally‐spun fibers. Even though the formation, diameter, and morphology of electrospun and centrifugally‐spun PEO fibers are relatively well‐studied, the article presents three crucial contributions: the pioneering use of PEO solutions in AcN as spinning dope, characterization of crystallinity and mechanical properties of the centrifugally‐spun PEO fibers, and a comparison with the corresponding properties of electrospun fibers. We find that fiber formation occurrs for the chosen CFS conditions if polymer concentration exceeds the entanglement concentration, determined from the measured specific viscosity. Most significantly, the centrifugally spun PEO fibers display crystallinity, modulus, elongation‐at‐break, and fiber diameter that rival the properties of electrospun PEO fibers reported in the literature.
Oxygen‐Vacancies‐Induced Enhancement in Photocatalystic Performance of Sea Urchin‐Like Fe3O4@ZnO Hollow Core–Shell Structures
Authors: Yang Shuo , Pan Mengqu , Chen Jiayou , Wang Lili , Guo Chenzi , Han Donglai , Yang Lili
Published: August 2021

A novel sea urchin‐like Fe3O4@ZnO (S‐FZ) hollow core–shell photocatalyst is developed, which achieves about fourfold higher photocatalystic degradation efficiency (84.4%) than the waxberry‐type Fe3O4@ZnO (W‐FZ) photocatalyst due to its larger specific surface area. After postannealing at different temperatures under argon atmosphere, the photocatalystic degradation efficiency of S‐FZ is effectively improved. When the annealing temperature is 500 °C, the degradation efficiency of S‐FZ hollow core–shell structures is further improved to 99%, which is related to the synergistic effect of high density of oxygen vacancies. Such S‐FZ catalysts are easily separated with a magnet and reused with only 2% loss in photocatalystic degradation efficiency after five circles. Herein, a practical approach toward high‐efficient and recyclable photocatalysts is provided.
On assessing functional errors in density functional theory using atomisation energies and electric field gradients
Authors: Littlefair Josh D. , Cole Daniel J. , Penfold Thomas J.
Published: August 2021

Despite the exact form of Exc being unknown, remarkably simple approximations can provide unrivaled accuracy to cost ratio. Both physically and empirically motivated approaches for developing Exc are used, but nearly all focus upon improving calculated energies. Herein we simultaneously study energy and density errors associated with a range of density functionals for CuCl and four related complexes. Atomisation energies are compared with high‐level coupled cluster, CCSD(T), while computed electric field gradients are compared with those obtained from microwave spectroscopy and CCSD(T). We show that simple metrics are able to reveal the relative contributions of the energetic errors associated with the use of an approximate density and an approximate exchange and correlation functional. The methods adopted provide a potentially useful approach for assessing and developing new balanced functionals that are able to provide simultaneous improvement in both energetics and properties associated with the electron density.
Erythrokeratoderma Variabilis (EKV) – First Nepalese Case Documenting GJB3 Mutation
Authors: Shah M. , Baral S. , Adhikari R. C.
Published: August 2021

Erythrokeratoderma Variabilis (EKV) is a rare genodermatosis, characterized by variable erythematous and hyperkeratotic skin lesions. It is most often transmitted in autosomal dominant manner (AD). Casual mutations were found in the GJB3 and GJB4 genes encoding connexins 31 and 30.3, respectively. We report a 7-year-old girl with multiple dusky red and brown skin lesions on face, buttock, both arms and legs. This diagnosis was made on the basis of clinical and histological findings and further genetic analysis detected a G > C transition at position 125 of the coding sequence, which replaces arginine with a proline at residue 42 of the protein (R42P). Here, we report a first case of Nepalese patient with EKV resulting from the GJB3 mutation.
AIE Effect by Oxygen Clustering in Vegetable Oil‐Based Polymers
Authors: Alarcon Rafael T. , Gaglieri Caroline , dos Santos Giovanny C. , Moralles Ana C. , Morgon Nelson H. , de Souza Aguinaldo R. , Bannach Gilbert
Published: August 2021

Vegetable oil has been widely used to synthesize monomers and polymers in different fields. Some authors have found different polymers in maleinized vegetable oil; however, they have not described the luminescent properties of the polymers in an intensive way. This work aimed to synthesize new polymers from macadamia oil using diethylene glycol and glycerol as crosslinkers and their characterization The results obtained by spectroscopic analyses confirmed the incorporation of anhydride, as well as the reactions for the final polymers. Results from UV‐Vis showed that maleinized macadamia oil presented an aggregation‐induced emission effect with solvatochromic effect with absorption at 201.6 nm (ethanol) and 241.8 nm (chloroform), which was corroborated by theoretical calculations. Moreover, the luminescent property exhibited by both obtained polymers was kept even after the swelling test, and powdering the samples. Therefore, these polymers, synthetized in a fast way and without catalyst, open a new field of renewable and sustainable materials with luminescent properties that can be applied in technological fields, such as solar cells and fluorescent sensors.
Enantioselective Cross‐Aldol Reaction with Ketones and Non‐Enolizable Ketones Catalyzed by Tetrapeptides
Authors: Wang Pei , Zhang Yang , Yang Hong , Ma Guo‐Rong , Wang Jin‐Bao , Yang Wen , Du Zhi‐Hong , Da Chao‐Shan
Published: August 2021

An efficient strategy shaping the construction of (R)‐3‐alkyl‐3‐hydroxyindolin‐2‐one and (S)‐5‐trifluoromethyl‐4‐hydroxy‐4‐arylpentan‐2‐one derivatives catalyzed by the β‐turn tetrapeptide catalyst under mild conditions was developed. Various isatins and ketones could participate in this reaction, and the desired adducts were obtained with excellent yield (up to 99 %) and moderate to high enantioselectivity (ee up to 85 %) and excellent diastereoselectivity (dr up to >20 : 1). Moreover, a series of trifluoromethyl ketones with ketones also could participate in this reaction, and the resulting β‐trifluoromethyl‐β‐hydroxy ketones with excellent yields and moderate enantioselectivities (ee up to 58 %) were obtained. In addition, the strategy afforded better results than natural papain.
Green Synthesis of Bis(pyrazol‐5‐ole) and Pyrazolopyranopyrimidine Derivatives through Mechanochemistry Using Chitosan as a Biodegradable Catalyst
Authors: Chowhan Bushra , Kour Jaspreet , Gupta Monika , Paul Satya
Published: August 2021

Grinding assisted, simple and green route for the synthesis of bis(pyrazol‐5‐ole) and pyrazolopyranopyrimidine using chitosan as a biodegradable catalyst is developed. This protocol offers selective synthesis of bis(pyrazol‐5‐ole) and pyrazolopyranopyrimidine without any side product with excellent yield and shorter duration. Moreover, this method provides metal‐free synthesis and put forward easy separation in gram scale synthesis which makes the protocol sustainable. The recyclability of the catalyst is also simple and carried upto eight consecutive runs. In addition, SEM images and powder XRD of fresh and recycled catalysts are also compared.
Enhanced Charge‐ Discharge Behaviour of MnFe2O4 laden Composite Cathode for Lithium‐Sulfur Batteries
Authors: Mathew Deepa Elizabeth , Rani G. Jenita , Jenis D. Ponraj , Thomas Sabu , Stephan A. Manuel
Published: August 2021

The Li−S battery commercialization has been hampered owing to challenging problems such as poor conductivity of elemental sulfur, volume change upon cycling, and shuttling of lithium polysulfide between the electrodes. To conquer these issues, a sensible electrode structure design is crucial. The incorporation of carbonaceous materials and metal oxides has been identified as an effective tool to foster the electrochemical properties of Li−S batteries. In this work, to confine polysulfide shuttling and to improve the conductivity of sulfur, MnFe2O4‐seated rGO‐sulfur composite was prepared and used as a cathode. The lithium‐sulfur cell with MnFe2O4‐seated rGO‐sulfur composite cathode showed outstanding electrochemical performance delivering a discharge capacity of 1300 mAh g−1 at 0.1 C‐rate on its first cycle and a stable cycling was attained at 0.5 C‐rate. In the composite cathode, each component functions for a specific reason: the rGO in the composite improves the conductivity of sulfur, while added‐ MnFe2O4 not only confines polysulfides appreciably but also provides integrity to the cathode as evidenced by SEM analysis. The self‐discharge studies showed that the Li−S cell with MnFe2O4 was capable of retaining its charge even after 90 h which has overhead the earlier reports. The Li−S system with MnFe2O4 ‐laden cathode material exhibited better electrochemical properties than the un‐laden one.
Preparation of Melamine Foam Supported Nanoscale Zero Valent Iron and Its Application for Removal of Cr(VI) from Aqueous Solution and Hydrogenation of p‐Nitrophenol
Authors: Gao Kangqi , Su Wen , Song Jianjun
Published: August 2021

In this work, PEG‐nZVI@MF composites were prepared by immobilizing nanoscale zero valent iron (nZVI) on melamine foam (MF) through the incorporation of polyethylene glycol (PEG). As a monolithic, low‐cost, and efficient catalyst, PEG‐nZVI@MF catalyst showed excellent performance in the removal of Cr(VI) from aqueous solution and catalytical hydrogenation of p‐nitrophenol (p‐NP). The hydrogenation of p‐NP by sodium borohydride was completed within 3 min, and PEG‐nZVI@MF catalyst showed excellent catalytic performance without sacrificing catalytic activity during four cycle reactions. In addition, 99 % of Cr(VI) ions in an aqueous solution were removed within 15 min. Importantly, the novel composite could be simply separated by a common external magnet. This synthesis strategy here provided a simple method to prepare air stable nZVI composites for environment remediation.
Boron Nitride doped Chitosan Functionalized Graphene for an Efficient Dye Degradation
Authors: Khose Rahul V. , Lokhande Kshama D. , Bhakare Madhuri A. , Dhumal Pratik S. , Wadekar Pravin H. , Some Surajit
Published: August 2021

In this article, we have developed a simple and highly effective method for synthesis of boron nitride, chitosan and graphene‐based composite (BNCG). The BNCG has been synthesized by using cheap precursors such as boric acid, melamine, chitosan, and graphene oxide in a seal tube under nitrogen atmosphere and applied to degrade methylene blue. The dye degradation of methylene blue (MB) and Acid orange II (AO II) has been carried out using sunlight. The effective degradation of dye takes place at basic pH. The 10, 25, and 50 ppm of dye has successfully degraded in 10 min. of time. The degradation study concluded that about 87 % of the MB and 57 % AO II dye were degraded by BNCG composite. The degradation follows the first order kinetics as per the observed results. This preparative method and BNCG composite will overcome complicated preparative steps and a long time for dye degradation.
Design and Synthesis of Metastable 4H‐3,1‐Benzoxazin‐4‐one and 3‐aminoquinazoline‐4(3H)‐one for Detecting Cations in Water Samples and Agricultural Crops
Authors: Algohary Ayman M. , Elamin Manahil B. , Ahmed Amani H. , El‐Hashash Maher A. , Radwan Tasnim M.
Published: August 2021

The behaviour of 2‐benzyl‐4H‐3,1‐benzoxazin‐4‐one towards nitrogen nucleophiles namely, amino acids, aromatic amines, sodium azide, and secondary amines has been investigated. Also the reaction of 3‐amino‐2‐benzylquinazolin‐4(3H)‐one and 2‐[2‐benzyl‐4‐oxoquinazolin‐3(4H)‐yl]acetohydrazide with carbon electrophiles has been discussed. As well as The novel synthesized compounds were evaluated as chemosensor for detecting formyl, carbonyl group and revealed high‐selectivity and specificity to detect metals ions in water samples and, agricultural crops. Qualitative and quantitative assays indicated appreciable selectivity of novel compounds 13 and 15 as a chemo sensor for Optical detection of Hg2+and Cr2+ respectively.
In‐vitro Anticancer and Molecular Docking Studies of 4‐Azaindole‐1,2,4‐Oxadiazole Hybrids
Authors: Sagam Ravikumar Reddy , Nukala Satheesh Kumar , Nagavath Rajkumar , Sirassu Narsimha , Gundepaka Prasad , Manchal Ravinder , Thirukovela Narasimha Swamy
Published: August 2021

The synthesis of some novel 4‐azaindole‐1,2,4‐oxadiazole hybrids (5 a–5 q) from the reaction between 1H‐pyrrolo[3,2‐b]pyridine‐3‐carbonitrile and readily available aromatic carboxylic acids using was described herein. All these hybrids were evaluated for their in vitro anticancer activity against three human cancer cell lines namely A375 (melanoma), MCF7 (breast) and A549 (lung) using MTT assay and outcomes revealed that three compounds like 5 c, 5 f and 5 m displayed superior inhibitory activities against all the cell lines than the standard. In those, predominantly, the compound 5 m showed outstanding activity in MCF‐7 cell line possessing IC50 values 0.48 μM. In addition, the in silico studies of three potent compounds 5 c, 5 f and 5 m were carried out to identify the interactions against EGFR receptor and found that the energy calculations were in good agreement with the obtained IC50 values. Furthermore, the compounds 5 c, 5 f and 5 m exhibited promising inhibitory activity against tyrosine kinase EGFR. Among them, the compounds 5 f and 5 m displayed superior activity against tyrosine kinase EGFR when compared with the standard Erlotinib.
Polyaniline‐Supported Tungsten‐Catalyzed Green and Selective Oxidation of Alcohols
Authors: Sun Hong , Shi Yaocheng , Fu Weijun , Yu Lei
Published: August 2021

Polyaniline (PANI)‐supported tungsten could be easily fabricated by immersing PANI into the tungsten salt solution. It was a high efficient catalyst for alcohol oxidation reaction to produce carbonyls. Notably, the selectivities of the oxidation of primary alcohols were good, affording aldehydes as the specific products. The high catalytic activity might attribute to the coordination of nitrogen in PANI with tungsten in the materials, while the unique structure afforded the catalyst high selectivity for primary alcohol oxidation.
Effect of Acid Treatment on the Catalytic Activity and Mechanical Stability of SmMnO3/Cordierite Monolithic Catalysts
Authors: Bao Lei , Wu Dongfang
Published: August 2021

SmMnO3/cordierite monolithic catalysts were synthesized by a modified citric acid method and treated with dilute HNO3, which was used to explore the effect of acid treatment on the catalytic performance and mechanical stability of the monolithic catalysts. Firstly, acid treatment can significantly improve catalytic activity of catalyst in o‐xylene oxidation, which is attributed to the increase of the specific surface area of the catalyst and the change of surface oxygen species. A series of single factor experiments show that the SmMnO3/cordierite monolithic catalyst treated by 1.0 mol/L HNO3 for 6 h and calcined at 450 °C for 1 h has the best performance. Furthermore, the mechanical stability of the catalysts treated by dilute HNO3 was tested, which show that too long acid treatment time and too high acid concentration will reduce the mechanical stability of the catalyst and 1.0 mol/L HNO3 treatment for 1 h is the best. Different calcination temperature and calcination time will also affect the mechanical stability of the catalyst. Finally, the catalyst has good stability of catalytic performance and mechanical stability.
Synthetic Approach to Oxacycles via the Application of Ring‐Rearrangement Metathesis
Authors: Kotha Sambasivarao , Fatma Ambareen
Published: August 2021

The design and synthesis of polycycles containing epoxy moeity ring system is described via the application of Grignard reaction and ring‐rearrangement metathesis as key steps. The synthesis of oxabowls using O‐allylation and ring‐rearrangement metathesis is also presented.
Synthesis of New Peptide‐Based Ligands with 1,2‐HOPO Pendant Chelators and Thermodynamic Evaluation of Their Iron(III) Complexes**
Authors: Al Shaer Danah M. , Albericio Fernando , de la Torre Beatriz G.
Published: August 2021

Hydroxypyridones (HOPOs) are an important class of chelating compounds. They bind strongly to hard metal ions such as Fe(III). Here we present the solid‐phase synthesis of peptides containing 1,2‐HOPO moieties linked through a carboxylic acid placed at position 4 of the ring. A total of four ligands were studied, two bidentate and two hexadentate. The latter were synthesized by both stepwise and convergent strategies. The ligands and their complexes were characterized from the physico‐chemical perspective. The pKa values for all ligands showed their total deprotonation at pH lower than the physiological pH. The formation constant of the Fe(III) complex (log β) ranged from 23.66, corresponding to ligand A, to 27.63, corresponding to ligand C. The pFe3+ at pH=7.4 revealed that ligands B and C had a strong iron affinity (26.91 and 28.58, respectively), thereby making them suitable for further study in therapeutic applications.
Synthesis and Study of the Thermally Stable Poly(arylene ether ketone) Nanohybrids Containing Cadmium Selenide Nanocrystals
Authors: Zhang Yinan
Published: August 2021

In the present work, the novel nanohybrid material was synthesized with poly(arylene ether ketone) as the matrix. To investigate the effects of the various factors on the photoluminescence properties of the nanomaterial, a series of CdSe/ poly(arylene ether ketone) nanohybrids were obtained with the solvothermal synthesis method under different reaction times, Cd2+/selenourea ratios and polymer content. The formation of the CdSe nanocrystal was confirmed by fourier transform infrared spectroscopy (FTIR), high‐resolution transmission electron microscopy (HRTEM), X‐ray diffraction (XRD) and X‐ray photoelectron spectroscopy (XPS). According to the HRTEM images, the homogenous dispersion of nanoparticles was found in the nanohybrid material. The optical properties of this new material were investigated by UV‐vis and photoluminescence (PL) spectroscopy. The differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) measurements had showed that the obtained material had excellent thermal properties. In summary, a series of novel CdSe/poly(arylene ether ketone) nanohybrid materials were obtained. Due to its good fluorescence and thermal properties, this material will have a broad potential application in area of optoelectronic devices.
Triethanolamine‐Mediated Magnetically Separable Fe3O4−Pd Nanoparticles Catalyzed Heck Reaction under Ligand‐Free Conditions
Authors: Kumar Pal Chandan , Kumar Jena Ashis , Das Dibya , Sahu Swagatika , Kumar Singh Rajesh
Published: August 2021

The Fe3O4−Pd nanoparticles catalyzed Heck coupling reaction in triethanolamine was performed for the first time in absence of any external ligand. The Fe3O4−Pd/triethanolamine/100 °C catalytic system was found to be highly active in achieving good to excellent yields of the desired (E)‐alkenes. Both acrylates and styrene derivatives were successfully coupled with electron‐rich and electron‐deficient aryl iodides. The scope of the reaction was also expanded to less reactive aryl bromides and aryl chlorides albeit in lower yields. A number of functional groups were well tolerated. More significantly the catalyst showed good recyclability and can be reused up to four consecutive cycles without any decrease in catalytic activity.