bluuebunny/crossref_metadata_2025 huggingface dataset:
Variation in purple sea urchin (Strongylocentrotus purpuratus) morphological traits in relation to resource availability
Authors: Smith Joshua G. , Garcia Sabrina C.
Published: April 2021

Flexible resource investment is a risk sensitive reproductive strategy where individuals trade resources spent on reproduction for basic metabolic maintenance and survival. This study examined morphological variation in herbivorous sea urchin grazers across a mosaic landscape of macroalgae dominated habitats interspersed with patches of sea urchin barrens to determine whether sea urchins shift energy allocation in response to food limitation. Extensive underwater surveys of habitat attributes (e.g., sea urchin density, algae cover) were paired with detailed laboratory assays (e.g., sea urchin dissections) to determine how resource abundance affects energy allocation between reproductive capacity and body structure in the purple sea urchin, Strongylocentrotus purpuratus. We found that: (1) sea urchins had a more elongate jaw structure relative to body size in habitats void of macroalgae (i.e., barrens), (2) sea urchin reproductive capacity (i.e., gonad index) was lower in barrens and the barrens habitat was primarily comprised of encrusting algae, and (3) sea urchin jaw morphology (i.e., lantern index) and reproductive capacity (i.e., gonad index) were inversely related. These results suggest that sea urchins respond to macroalgae limited environments by shifting energy allocation between reproductive capacity and modifications of the foraging apparatus, which may explain the ability of sea urchins to acquire food in resource-limited environments.
Biology of Anar Butterfly: Deudorix (Virachola) isocrates Fabricius (Lepidoptera: Lycaenidae) in Mid Hill of Himachal Pradesh
Authors: Kaushal Himani , Thakur Mahender Singh , Singh Joginder , Lal Ramesh
Published: April 2021

Aim: The study on biology of fruit borer, Virachola isocrates Fabricius was carried out under laboratory conditions.

Place and Duration of study: Study on the biology of V. isocrates was carried out under laboratory conditions in the Horticultural Research Station, Dr Y S Parmar University of Horticulture and Forestry, Seobagh Kullu in 2019.

Methodology: In order to study life cycle, V. isocrates reared in the laboratory and measurements of different stages were regularly recorded with the help of ocular micrometer and stage  micrometer.

Results: The average incubation period was recorded to be of 8.66 ± 2.05 days. The developmental period of first, second, third, fourth and fifth instar was 2.66 ± 0.46, 3.33 ± 0.46, 3.66 ± 0.46, 3.33 ± 0.46 and 3.33 ± 0.46 days, respectively. The total larval period was found to be of 15.33 ± 6.94 days. Pupal duration was found to be 15.33 ± 6.94 days. Total developmental period was completed within 40 ± 4.08 days through five larval instars on pomegranate.

Conclusion: An up to date knowledge about the incidence pattern of major insect pests and their life cycle studies is a prerequisite for implementation of an effective and successful management tactics.
Tetrapleura tetraptera (Schum and Thonn) Taub Fruit Extract Impairs Reproductive Hormones and Fertility Parameters in Female Experimental Rats
Authors: Adienbo Ologhaguo Macstephen , Ezeala Ogechi Stephanie
Published: April 2021

Aim: The increasing rate of infertility in humans has necessitated the need to assess commonly used medicinal plants to ascertain their effects on reproductive functions. The aim of this study was to determine the effects of tetrapleura tetraptera fruit extract on reproductive hormones and fertility in females.

Methods: A total of seventy two (72) adult female wistar rats weighing 160-180 g were randomly assigned into four groups of 18 animals each. Group1 (control) was administered distilled water, groups II, III and lV were daily treated with the extract at doses of 75, 150 and 300 mg/kg body weight, respectively, orally for 28 days. Thereafter, 6 rats from each group were sacrificed during oestrous phase and serum used for analyses of reproductive hormones; while remaining 12 females from each group were each cohabited with males (2:1), sacrificed at gestational age16 and fertility parameters were determined.

Results: The results show that in the test groups, there was significant (P < 0.05 ) reduction in the levels of FSH, LH and Estrogen, with a significant (P < 0.05 ) increase in progesterone, when compared with the control. Also, the number of pregnant female rats, number of foetuses, and fertility index significantly (P < 0.05 ) increased in the test animals, compared with the control.

Conclusion: We concluded that Tetrapleura. tetraptera fruit extract impairs reproductive hormones and fertility parameters in female rats, and therefore should be consumed with caution.
Influence of Cropping Practices on the Persistence and Vertical Migration of Escherichia coli from Wastewater in Hydromorph Soil in Wet Tropical Zone
Authors: Honorine Ntangmo Tsafack , Emile Temgoua , Siméon Kenfack , Thomas Njine
Published: April 2021

Little attention is paid to the influence of cultivation practices on the persistence and vertical migration of undesirable bacteria in hydromorphic soils as they have increased the risk of crop recontamination. Therefore the objective of this study was to determine the implication of some cultural practices on the persistence and vertical migration of E. coli in the soil. In this study, raw sewage (single application) and stream water (multiple application) were applied on lettuce, carrot and aubergine plots. The results revealed that overall, E. coli persisted longer on plots with crops and were more persisted in the rainy season on all cultivated plots that had received wastewater from the sewage treatment plant until harvest. While in the dry season, it was only detected at harvest on lettuce plots. The E. coli rate increased gradually overtime on the plots that had received water from the watercourse. Aubergine was the only plant that significantly facilitates the vertical migration of E. coli to the water table. On the whole, crops favored the persistence of E. coli on the soil surface and therefore increase the health risk related to the use of wastewater in agriculture.
Human Evolution: Radiations in the Past 300 000 Years
Authors: Pearson Osbjorn M
Published: April 2021

Homo sapiens
and Neanderthals (
Homo neanderthalensis
) evolved from
Homo heidelbergensis
in the past 300 000 years.
H. sapiens
subsequently spread throughout the world; all other hominins disappeared. The Out‐of‐Africa and multiregional models offer different explanations for this pattern.

Modern humans (
Homo sapiens
) and Neanderthals (
Homo neanderthalensis
) both evolved from
Homo heidelbergensis
within the past 300 000 years.

The Denisovans, known primarily from ancient genomes, were an Asian sister taxon of Neanderthals and modern humans.

At least four very archaic species persisted into this time frame:
Homo erectus
in East Asia and Java,
Homo luzonensis
in the Philippines,
Homo floresiensis
on the Indonesian island of Flores and
Homo naledi
in South Africa.

Modern humans spread from Africa 200 000 years ago, but this early spread left few traces in our genes.

A later dispersal of modern humans from Africa at 60 000 years ago apparently led to the demise of other hominin species throughout Eurasia.

Evidence from ancient DNA and new fossil finds have both revolutionised our understanding of human evolution during this time period.
Spontaneous Pillaring of Pentasil Zeolites
Authors: Jain Rishabh , Chawla Aseem , Linares Noemi , García Martínez Javier , Rimer Jeffrey D.
Published: April 2021

Conventional methods to prepare hierarchical zeolites depend upon the use of organic structure‐directing agents and often require multiple synthesis steps with limited product yield and Brønsted acid concentration. Here, it is shown that the use of MEL‐ or MFI‐type zeolites as crystalline seeds induces the spontaneous formation of self‐pillared pentasil zeolites, thus avoiding the use of any organic or branching template for the crystallization of these hierarchical structures. The mechanism of formation is evaluated by time‐resolved electron microscopy to provide evidence for the heterogeneous nucleation and growth of sequentially branched nanosheets from amorphous precursors. The resulting hierarchical zeolites have large external surface area and high percentages of external acid sites, which markedly improves their catalytic performance in the Friedel–Crafts alkylation and methanol to hydrocarbons reactions. These findings highlight a facile, commercially viable synthesis method to reduce mass‐transport limitations and improve the performance of zeolite catalysts.
Alkene, Bromide, and ROH – How To Achieve Selectivity? Electrochemical Synthesis of Bromohydrins and Their Ethers
Authors: Bityukov Oleg V. , Vil' Vera A. , Nikishin Gennady I. , Terent'ev Alexander O.
Published: April 2021

Bromohydrins and their ethers were electrochemically synthesized via hydroxy‐ and alkoxybromination of alkenes using potassium bromide and water or alcohols. High selectivity of bromohydrins formation was achieved only with the use of DMSO as the solvent and an acid as the additive. The proposed combination of starting reagents, additives, and solvents allowed to form bromohydrins or their ethers selectively despite the variety of side‐products (epoxides, dibromides, diols). Bromohydrins were obtained in high yields, up to 96%, with a broad substrate scope in an undivided electrochemical cell equipped with glassy carbon and platinum electrodes at high current density.

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Race reconciled II: Interpreting and communicating biological variation and race in 2021
Authors: Raff Jennifer A. , Mulligan Connie J.
Published: April 2021

Special Issue ‐ Race reconciled II: Interpreting and communicating biological variation and race in 2021
Enhancing anti‐PD‐1 Immunotherapy by Nanomicelles Self‐Assembled from Multivalent Aptamer Drug Conjugates
Authors: Geng Zhongmin , Wang Lu , Liu Ke , Liu Jinyao , Tan Weihong
Published: April 2021

A tumor‐targeting enhanced chemotherapy, enabled by aptamer‐drug conjugate nanomicelles, is reported that boosts antitumor immune responses. Multivalent aptamer drug conjugate (ApMDC), an amphiphilic telodendrimer consisting of a hydrophilic aptamer and a hydrophobic monodendron anchored with four anticancer drugs by acid‐labile linkers, was designed and synthesized. By co‐self‐assembly with an ApMDC analogue, in which aptamer is replaced with polyethylene glycol, the surface aptamer density of these nanomicelles can be screened to reach an optimal complementation between blood circulation and tumor‐targeting ability. Optimized nanomicelles can enhance immunogenic cell death of tumor cells, which strikingly augments the tumor‐specific immune responses of the checkpoint blockade in immunocompetent tumor‐bearing mice. ApMDC nanomicelles represent a robust platform for structure–function optimization of drug conjugates and nanomedicines.
Dynamics of Meso–Chiral Interconversion in a Butterfly‐Shape Overcrowded Alkene Rotor Tunable by Solvent Properties
Authors: Kartha Kalathil K. , Takai Atsuro , Futera Zdeněk , Labuta Jan , Takeuchi Masayuki
Published: April 2021

Elucidation of dynamics of molecular rotational motion is an essential part and challenging area of research. We demonstrate reversible diastereomeric interconversion of a molecular rotor composed of overcrowded butterfly‐shape alkene (FDF). Its inherent dual rotatory motion (two rotors, one stator) with interconversion between two diastereomers, chiral trans‐FDF and meso cis‐FDF forms, has been examined in detail upon varying temperatures and solvents. The free energy profile of 180° revolution of one rotor part has a bimodal shape with unevenly positioned maxima (transition states). FDF in aromatic solvents adopts preferentially meso cis‐conformation, while in non‐aromatic solvents a chiral trans‐conformation is more abundant owing to the solvent interactions with peripheral hexyl chains (solvophobic effect). Moderate correlations between the trans‐FDF/cis‐FDF ratio and solvent parameters, such as refractive index, polarizability, and viscosity were found.
Isoreticular Crystallization of Highly Porous Cubic Covalent Organic Cage Compounds**
Authors: Ivanova Svetlana , Köster Eva , Holstein Julian J. , Keller Niklas , Clever Guido H. , Bein Thomas , Beuerle Florian
Published: April 2021

Modular frameworks featuring well‐defined pore structures in microscale domains establish tailor‐made porous materials. For open molecular solids however, maintaining long‐range order after desolvation is inherently challenging, since packing is usually governed by only a few supramolecular interactions. Here we report on two series of nanocubes obtained by co‐condensation of two different hexahydroxy tribenzotriquinacenes (TBTQs) and benzene‐1,4‐diboronic acids (BDBAs) with varying linear alkyl chains in 2,5‐position. n‐Butyl groups at the apical position of the TBTQ vertices yielded soluble model compounds, which were analyzed by mass spectrometry and NMR spectroscopy. In contrast, methyl‐substituted cages spontaneously crystallized as isostructural and highly porous solids with BET surface areas and pore volumes of up to 3426 m2 g−1and 1.84 cm3 g−1. Single crystal X‐ray diffraction and sorption measurements revealed an intricate cubic arrangement of alternating micro‐ and mesopores in the range of 0.97–2.2 nm that are fine‐tuned by the alkyl substituents at the BDBA linker.
The Impact of the C‐Rate on Gassing During Formation of NMC622 II Graphite Lithium‐Ion Battery Cells
Authors: Leißing Marco , Horsthemke Fabian , Wiemers‐Meyer Simon , Winter Martin , Niehoff Philip , Nowak Sascha
Published: April 2021

Formation is considered a cost and time intensive production step in industrial production of lithium‐ion batteries (LIBs). One solution for improvement is an acceleration of the formation step by applying higher C‐rates. In this study, formation protocols with up to 2 C were applied to LiNi0.6Mn0.2Co0.2O2 (NMC622) II graphite pouch cells with a nominal capacity of 5 Ah. The formation protocols utilizing higher C‐rates result in a decrease in overall formation time, but also in increased gassing due to additional electrolyte decomposition. The resulting gas phase was quantitatively determined using gas chromatography‐barrier discharge ionization detection (GC‐BID) and with regard to gas volume by making use of the Archimedes principle. Main formation gases in these cells were identified as CO and C2H4. Increased C‐rates altered certain decomposition reactions. Especially the CO evolution was increased. Nevertheless, gassing was smallest for 0.1 C and increased with lower and higher C‐rate. In case of too low C‐rates hydrogen was identified as the main formation gas. However, higher gassing was not correlated with higher capacity loss during formation. Furthermore, the dependence of the C‐rate on gassing was found to be dependent on the graphite material.
Physiologically‐based pharmacokinetic model for alectinib, ruxolitinib, and panobinostat in the presence of cancer, renal impairment, and hepatic impairment
Authors: Alsmadi Mo'tasem M. , AL‐Daoud Nour M , Jaradat Mays M. , Alzughoul Saja B. , Abu Kwiak Amani D. , Abu Laila Salam S. , Abu Shameh Ayat J. , Alhazabreh Mohammad K. , Jaber Sana'a A. , Abu Kassab Hala T.
Published: April 2021

Renal (RIP) and hepatic (HIP) impairments are prevalent conditions in cancer patients. They can cause changes in gastric emptying time, albumin levels, hematocrit, glomerular filtration rate, hepatic functional volume, blood flow rates, and metabolic activity that can modify drug pharmacokinetics. Performing clinical studies in such populations has ethical and practical issues. Using predictive physiologically‐based pharmacokinetic (PBPK) models in the evaluation of the PK of alectinib, ruxolitinib, and panobinostat exposures in the presence of cancer, RIP, and HIP can help in using optimal doses with lower toxicity in these populations. Verified PBPK models were customized under scrutiny to account for the pathophysiological changes induced in these diseases. The PBPK model‐predicted plasma exposures in patients with different health conditions within average 2‐fold error. The PBPK model predicted an area under the curve ratio (AUCR) of 1, and 1.8, for ruxolitinib and panobinostat, respectively, in the presence of severe RIP. On the other hand, the severe HIP was associated with AUCR of 1.4, 2.9, and 1.8 for alectinib, ruxolitinib, and panobinostat, respectively, in agreement with the observed AUCR. Moreover, the PBPK model predicted that alectinib therapeutic cerebrospinal fluid levels are achieved in patients with non‐small cell lung cancer, moderate HIP, and severe HIP at 1‐, 1.5‐, and 1.8‐fold that of healthy subjects. The customized PBPK models showed promising ethical alternatives for simulating clinical studies in patients with cancer, RIP, and HIP. More work is needed to quantify other pathophysiological changes induced by simultaneous affliction by cancer and RIP or HIP.
Staying calm and teaching biochemistry to postgraduates in COVID‐19 times: Pros and cons
Authors: Sepici Dinçel Aylin
Published: April 2021

While we have been looking for alternative educational materials for our undergraduate students, we found ourself in Covid‐19 pandemic and had to think postgraduate education. On the first day of restrictions, our major problem was to learn and find the best communication tool. The first experiences for online meetings were boring, we were not feeling our emotions but as days past we got used to it. We all understand the importance of having alternatives and have to be ready for second choices. During those challenging days, all had more time to work on our completed data, time to write, complete the proofreading of written materials. Other vital scientific activities for career development and profile building such as reading (every meeting with new articles/reviews), publishing and preparing oral presentation were fully completed during the online meetings as a part of lab meeting activities. They learned to improve communication skills, be active participants, and fight.
Flipping a biochemistry class within a medical curriculum: Impacts on perception, engagement, and attainment
Authors: Fakhoury Hana. M. A. , A. Fatoum Hanaa , Aldeiry MHD Amer , Alahmad Hawazen , Enabi Joud , Kayali Sara , Bawahab Yahya , Masuadi Emad M. , Obeidat Akef , Lumsden Colin James
Published: April 2021

The flipped classroom has gained prominence in higher education, but little has been written about its application in the Middle East. This study aimed to assess the feasibility, acceptability, and impact of flipping biochemistry classes in comparison to the traditional didactic program. The study was conducted on first‐year medical students taking biochemistry at a private University in Saudi Arabia. A series of short, pre‐recorded videos were used to replace traditional lectures. The scheduled lecture time was used for problem solving and discussion sessions. To gather their evaluation of the learning approach, participants completed an online survey. To study the effect of the learning approach on exam performance, the scores of the participants were compared in questions taught using the flipped classroom versus the traditional didactic method. Participants noted that the effort needed for the course was similar regardless of the learning approach. Moreover, examination performance measured using single best answer multiple‐choice questions showed no difference between the two teaching methods. However, the participants did report a significantly better perception of the flipped classroom compared to the traditional approach. Although no significant improvement in examination results was noted, the participants significantly favored the flipped classroom over traditional lectures. This study has demonstrated that the flipped classroom can be used in the teaching of the biosciences within a Middle Eastern setting, resulting in an improvement in student satisfaction and engagement in the course materials.
Glycerol Conversion to Solketal: Catalyst and Reactor Design, and Factors Affecting the Yield
Authors: Zahid Imtisal , Ayoub Muhammad , Abdullah Bawadi B. , Mukhtar Ahmad , Saqib Sidra , Rafiq Sikander , Ullah Sami , Al‐Sehemi Abdullah G. , Farrukh Sarah , Danish Mohammed
Published: April 2021

A significant amount of glycerol has been generated by the epidemic increment in several biodiesel industries globally, which should be utilized for the biodiversity of biodiesel. The synthesis of Solketal‐acetone glycerol as a possible fuel additive is one of the most crucial glycerol recovery paths. State‐of‐the‐art reviews on batch and continuous processes to produce Solketal and possible reaction mechanisms are presented. The design of reactors and catalysts is taken into consideration and the factors influencing the yield of the Solketal process are discussed in detail. Finally, conclusions with future recommendations are reported. The utility of glycerol for acetals and ketals is of current importance for scientists seeking to find the best working conditions by testing the different catalysts, reactants, temperatures, and reactor designs.
Palladium Catalyst Recycling for Heck‐Cassar‐Sonogashira Cross‐Coupling Reactions in Green Solvent/Base Blend
Authors: Fantoni Tommaso , Bernardoni Sara , Mattellone Alexia , Martelli Giulia , Ferrazzano Lucia , Cantelmi Paolo , Corbisiero Dario , Tolomelli Alessandra , Cabri Walter , Vacondio Federica , Ferlenghi Francesca , Mor Marco , Ricci Antonio
Published: April 2021

The identification of a green, versatile, user‐friendly, and efficient methodology is necessary to facilitate the use of Heck‐Cassar‐Sonogashira (HCS) cross‐coupling reaction in drug discovery and industrial production in the pharmaceutical segment. The Heck‐Cassar and Sonogashira protocols, using N‐hydroxyethylpyrrolidone (HEP)/water/N,N,N′,N′‐tetramethyl guanidine (TMG) as green solvent/base mixture and sulfonated phosphine ligands, allowed to recycle the catalyst, always guaranteeing high yields and fast conversion under mild conditions, with aryl iodides, bromides, and triflates. No catalyst leakage or metal contamination of the final product were observed during the HCS recycling. To our knowledge, a turnover number (TON) up to 2375, a turnover frequency (TOF) of 158 h−1, and a process mass intensity (PMI) around 7 that decreased around 3 after solvent, base, and palladium recovery, represent one of the best results to date using a sustainable protocol. The Heck‐Cassar protocol using sSPhos was successfully applied to the telescoped synthesis of Erlotinib (TON: 1380; TOF: 46 h−1).
Research and implementation of digital 3D panoramic visual communication technology based on virtual reality
Authors: Zhang Guangchao , Kou Xinyue
Published: April 2021

Based on the digital three‐dimensional (3D) panoramic technology of sequence pictures, the static pictures are stitched together to form a 360‐degree panoramic image, which can truly reproduce the real scene. Panoramic images are widely used, making this technology a hot spot in the research of virtual reality technology. This paper completes the research content of the application value of the digital 3D panorama, the key technology of digital 3D panorama technology, and the design and display of 3D panorama campus through practical application. This article comprehensively introduces the hardware equipment of panoramic technology and the technical requirements of panoramic image acquisition in the field of practical application, and combines the actual cases to systematically produce panoramic image stitching, panoramic image generation, and virtual roaming campus construction; 3D panoramic technology is a brand‐new form of viewing images, discussing and studying the artistic expression of 3D panoramic images, and researching its innovative application in visual communication art. In this paper, the chromaticity calibration of digital camera and projection equipment is used to eliminate the coupling difference between the two; then estimate the spectral reflectance of the three‐color channel of the object and separate the specular reflection component and the diffuse reflection component, at the same time correct the color and specular reflectance of the object itself, and analyze the influence of reflection on the color of the projection light source. This article describes the design ideas and key technologies of the school's 3D panoramic walkthrough system, describes in detail the process of the system from demand analysis to system design and finally realization, and focuses on the production method of panoramic images and the main functional modules in the walkthrough system. At the end, the system was tested, and the existing problems were analyzed, and solutions were provided. Research shows that when the roaming system has 3,000 concurrent users, it can read a single scene for about 3 s on average.
Effects of sediment grain size and channel slope on the stability of river bifurcations
Authors: Iwantoro Arya P. , van der Vegt Maarten , Kleinhans Maarten G.
Published: April 2021

Channel bifurcations can be found in river network systems from high gradient gravel‐bed rivers to fine‐grained low gradient deltas. In these systems, bifurcations often evolve asymmetrically such that one downstream channel silts up and the other deepens and, in most cases, they eventually avulse. Past analytical and numerical studies showed that symmetric bifurcations are unstable in high and low Shields stress conditions resulting in asymmetric bifurcations and avulsion, while they can be stable in the mid‐Shields range, but this range is smaller for larger width‐to‐depth ratio. Here, using a one‐dimensional (1D) numerical model, we show that effects of sediment grain size and of channel slope are much larger than expected for low‐gradient systems when a sediment transport relation is used that separates between bedload and suspended load transport. We found that the range of Shields stress conditions with unstable symmetric bifurcations expanded for lower channel slopes and for finer sediment. In high sediment mobility, suspended load increasingly dominates the sediment transport, which increases the sediment transport nonlinearity and lowers the relative influence of the stabilizing transverse bedslope‐driven flux. Contrary to previous works, we found another stable symmetric solution in high Shields stress, but this only occurs in the systems with small width‐to‐depth ratio. This indicates that suspended load‐dominated bifurcations of lowland rivers are more likely to develop into highly asymmetric channels than previously thought. This explains the tendency of channel avulsion observed in many systems.
New calculation method for exact length weighting factor in cone‐beam computed tomography
Authors: Wang Xianchao , Jiang Chengshun
Published: April 2021

In iterative reconstruction algorithms, it is very important to calculate the weighting factor quickly and accurately, which directly affects the reconstruction efficiency and accuracy of computed tomography images. In this paper, a new calculation method for accurate length weighting factor is developed. Firstly, the ray equation is determined according to the coordinates of the source and the ray's projection. Second, the intersections of the ray and the equidistant parallel planes along three coordinate axes are calculated, and the points intersecting with the reconstructed object are put into a set. Finally, when the X‐axis coordinates of all points in the set are different, the points are arranged according to their X‐axis coordinates; when the X‐axis coordinates of all points are same, the points are arranged according to their Y‐axis coordinates. The sorted point set is the intersections that the ray traverses the reconstructed object in sequence. The index and weighting factor of all voxels that the ray passes through can be determined by the sorted point set. Compared with the classical Siddon's method, it avoids the step of describing the intersections with parameters, and its calculation speed is increased by nearly 20%. The numerical simulations and real data reconstruction experiments are conducted to validate the proposed calculation method of exact length weighting factor.
LSLOpt: An open‐source implementation of the step‐length controlled LSL‐BFGS algorithm
Authors: Flachsenberg Florian , Rarey Matthias
Published: April 2021

Numerical optimization is a common technique in various areas of computational chemistry, molecular modeling and drug design. It is a key element of 3D techniques, for example, the optimization of protein–ligand poses and small‐molecule conformers. Here, often the BFGS algorithm or variants thereof are used. However, the BFGS algorithm tends to make unreasonable large changes to the optimized system under certain circumstances. This behavior has been known for a long time and different solutions have been suggested. Recently, we have analyzed the optimization behavior of our novel JAMDA scoring function in detail and proposed the limited step length (LSL)‐BFGS algorithm as a new solution to the problem of excessively large steps during optimization. The LSL‐BFGS algorithm allows to control the step sizes during optimization. Its unique feature is the inclusion of arbitrary domain knowledge into the selection of the step sizes. Here, we introduce the open‐source LSLOpt C++ library that implements this LSL‐BFGS algorithm and demonstrate its usage.
Nanoalgosomes: Introducing extracellular vesicles produced by microalgae
Authors: Adamo Giorgia , Fierli David , Romancino Daniele P. , Picciotto Sabrina , Barone Maria E. , Aranyos Anita , Božič Darja , Morsbach Svenja , Raccosta Samuele , Stanly Christopher , Paganini Carolina , Gai Meiyu , Cusimano Antonella , Martorana Vincenzo , Noto Rosina , Carrotta Rita , Librizzi Fabio , Randazzo Loredana , Parkes Rachel , Capasso Palmiero Umberto , Rao Estella , Paterna Angela , Santonicola Pamela , Iglič Ales , Corcuera Laura , Kisslinger Annamaria , Schiavi Elia Di , Liguori Giovanna L. , Landfester Katharina , Kralj‐Iglič Veronika , Arosio Paolo , Pocsfalvi Gabriella , Touzet Nicolas , Manno Mauro , Bongiovanni Antonella
Published: April 2021

Cellular, inter‐organismal and cross kingdom communication via extracellular vesicles (EVs) is intensively studied in basic science with high expectation for a large variety of bio‐technological applications. EVs intrinsically possess many attributes of a drug delivery vehicle. Beyond the implications for basic cell biology, academic and industrial interests in EVs have increased in the last few years. Microalgae constitute sustainable and renewable sources of bioactive compounds with a range of sectoral applications, including the formulation of health supplements, cosmetic products and food ingredients. Here we describe a newly discovered subtype of EVs derived from microalgae, which we named nanoalgosomes. We isolated these extracellular nano‐objects from cultures of microalgal strains, including the marine photosynthetic chlorophyte Tetraselmis chuii, using differential ultracentrifugation or tangential flow fractionation and focusing on the nanosized small EVs (sEVs). We explore different biochemical and physical properties and we show that nanoalgosomes are efficiently taken up by mammalian cell lines, confirming the cross kingdom communication potential of EVs. This is the first detailed description of such membranous nanovesicles from microalgae. With respect to EVs isolated from other organisms, nanoalgosomes present several advantages in that microalgae are a renewable and sustainable natural source, which could easily be scalable in terms of nanoalgosome production.
Association between Children’s Imaginational Overexcitability and Parent‐Reported Creative Potential: Cognitive and Affective Play Processes as Potential Mediators
Authors: Fung Wing Kai , Chung Kevin Kien Hoa , He Mavis Wu‐jing
Published: April 2021

This study examined the direct and indirect associations among imaginational over‐excitability, cognitive play processes, affective play processes, and parent‐reported creative potential of Hong Kong Chinese kindergarten children. Participants were 106 parents of local kindergarten children (43.4% girls, mean age = 60.1 months). Parents reported their child’s imaginational over‐excitability, cognitive play processes, affective play processes, and creative potential through a questionnaire. Results from the path model revealed that children’s imaginational over‐excitability was positively associated with their cognitive and affective play processes. Children’s parent‐reported creative potential was significantly related to their cognitive play processes but marginally related to their affective play processes. Furthermore, the relationship between imaginational over‐excitability and parent‐reported creative potential was fully mediated by children’s cognitive and affective play processes. Theoretically, the findings suggest that children’s cognitive and affective play processes may explain the association between their imaginational over‐excitability and parent‐reported creative potential. Practically speaking, the results highlight the importance of providing imaginative children with opportunities and supports to carry out imaginative pretend play so as to promote their creative potential.
Fun, Friends, and Creativity: A Social Capital Perspective
Authors: Boekhorst Janet A. , Halinski Michael , Good Jessica R.L.
Published: April 2021

Although creativity research has devoted considerable effort toward identifying the antecedents of creativity, there remain important questions about how organizations can foster creativity through social processes. Drawing from social capital theory, we hypothesize a moderated mediation model that investigates the influence of employee participation in fun activities on individual creativity through workplace friendships. We further hypothesize that the strength of this positive indirect effect is weaker for managers compared with non‐managers. Our analysis of data collected from a multi‐source, three‐wave field study (n = 163 employees) reveals a positive mediation between participation in fun activities and incremental creativity (but not radical creativity) via workplace friendships. The results further support our prediction that this positive indirect effect on incremental creativity is weaker for managers compared with non‐managers. Our findings not only highlight the practical and theoretical importance of fun activities in generating novel and useful ideas, but the results also reveal that the benefits derived from fun activities (i.e., strengthened friendships, incremental creativity) are particularly salient for non‐managers.
Redetermining the cutoff point of peristomal infection scoring: Methodological research
Authors: Ayhan Hatice , Akcay Kezban , Olmez Yeter Nilgun , Simsek Cem , Abbasoglu Osman
Published: April 2021

Background

Peristomal infections are a frequently encountered problem in enteral nutrition that warrants prompt diagnosis and early antimicrobial treatment. Current practice lacks a consensus on an accepted measurement tool with acknowledged validity and reliability. The Peristomal Infection Scoring System is one such tool that shows promise, yet the optimal cutoff value remains to be determined.

Methods

This methodological research was conducted with 54 adult participants to evaluate their peristomal areas in terms of infection by two nurse nutritionists and an expert physician in a simultaneous and independent manner, using peristomal infection scoring or the local signs and symptoms of infection. Performance was assessed by the receiver operating characteristic curve, interobserver reliability, and validity metrics.

Results

According to the expert physician's opinion, the peristomal infection rate was 9.2%. The agreement between the observers using the Peristomal Infection Scoring System was κ = 1,000, P < .001. The peristomal infection scoring area under the receiver operating characteristic curve was 0.98 (P < .001), and the best cutoff value was found to be 6 points, which correlated positively with a 0.88 coefficient (P < .001) and an accuracy of 98.1% (CI, 90.11%–99.95%).

Conclusion

The Peristomal Infection Scoring System with a cutoff value of 6 points is a valid and reliable instrument to diagnose peristomal infections. It can be easily used by healthcare professionals in all settings as needed.
Fluorescent sensor based on quantum dots and nano‐porphyrin for highly sensitive and specific determination of ethyl carbamate in fermented food
Authors: Wei Liuna , Chen Hengye , Liu Rui , Wang Shuo , Liu Tingkai , Hu Zikang , Lan Wei , Yu Yongjie , She Yuanbin , Fu Haiyan
Published: April 2021

BACKGROUND

Ethyl carbamate (EC) is a potentially toxic carcinogen produced during fermentation and storage of fermented foods, and many countries have set thresholds for its content in food. Therefore, sensitive, rapid and accurate detection of EC is meaningful to ensure the quality of fermented food.

RESULTS

This study introduces a CdTe quantum dots/nano‐5,10,15,20‐tetrakis (4‐methoxyphenyl)‐porphyrin (nano TPP‐OCH3) fluorescence sensor system detection of EC. The specificity of this sensing mainly relies on a photo‐induced electron transfer and electrostatic force interaction between EC and nano TPP‐OCH3. This sensor presented a linear range of 10 to 1000 μg L−1 (R2 = 0.9903) with a low detection limit of 7.14 μg L−1. Meanwhile, the recovery (91.19–101.09%) and precision [relative standard deviation (RSD) = 0.64–3.05%] of the sensor for the analysis of fermented food (yellow rice wine, soy sauce, Chinese spirits, Pu‐erh tea) samples were good and could meet the requirements of practical detection. Moreover, the detection results of fermented food (yellow rice wine, soy sauce, Chinese spirits, Pu‐erh tea) samples by this sensor are basically consistent with those of high‐performance liquid chromatography with fluorescence detector (HPLC‐FLD).

CONCLUSION

This method was expected to provide a potential platform for sensitive and accurate detection of EC in food safety monitoring, which would provide knowledge of the flavor and quality related to fermented food. © 2021 Society of Chemical Industry.
Diagnostic Accuracy of Prenatal Fetal Ultrasound to Detect Cleft Palate in High‐Risk Fetuses
Authors: Lai Guang‐ping , Weng Xun‐jin , Wang Min , Tao Zhao‐feng , Liao Feng‐hua
Published: April 2021

Objectives

This systematic review and meta‐analysis investigated the accuracy of prenatal fetal ultrasound (US) to detect cleft palate during the second and third trimester (12–36 weeks) of pregnancy in high‐risk fetuses.

Methods

Pubmed and Embase databases were searched for studies that performed prenatal fetal US (comparator) and postnatal examination (reference standard) in fetuses at high risk for orofacial clefts. Risk of bias among included studies was assessed using the QUADAS‐2. Area under the summary receiver operating characteristic (SROC) curve and pooled sensitivity and specificity were calculated.

Results

This meta‐analysis included 7 studies involving 663 high‐risk fetuses. The individual studies showed that prenatal fetal US accurately predicted the possibility of cleft palate in these fetuses. Pooled sensitivity was 87% (95% CI 71%–95%), pooled specificity was 98% (95%CI 90%–100%), and the area under the SROC curve was 0.98 (95% CI 0.97–0.99).

Conclusion

Second and third trimester fetal US has excellent sensitivity and specificity for the detection of cleft palate in high‐risk pregnancies.
Photopolymerization of Pollen Based Biosourced Composites and Applications in 3D and 4D Printing
Authors: Zhang Yijun , Chen Hong , Liu Shaohui , Josien Ludovic , Schrodj Gautier , Simon‐Masseron Angélique , Lalevée Jacques
Published: April 2021

Pollen have the potential to be effective plant‐based biorenewable reinforcing fillers for polymers due to their chemical stability and unique micro‐ or nano‐structured surfaces. Pollen‐polymer composites can form the basis for a new class of light‐weight and sustainable materials if compatible polymer‐filler systems can be engineered through photopolymerization, but this idea is previously unexplored. The first demonstration of photopolymerization and 3D printing with the incorporation of pine pollen as filler in poly(ethylene glycol) diacrylate are presented. The filler properties affecting the related depth of cure and the mechanical, thermal, and functional properties are examined in detail. In addition, the lithography technique is applied to the photocomposites for the production of 3D patterns. 4D printing behavior is also possible through the water swelling and dehydration induced actuation of the 3D printed composites with spatial resolution features. This work is expected to provide a new way to a field for photopolymerization reactions in natural material‐resin composites and thereby to expand potential applications in 3D and 4D printing.
Binary Blends of Diblock Copolymers: An Effective Route to Novel Bicontinuous Phases
Authors: Lai Chi To , Shi An‐Chang
Published: April 2021

The formation of various bicontinuous phases from binary blends of linear AB diblock copolymers (DBCPs) is studied using the polymeric self‐consistent field theory. The theoretical study predicts that the double diamond and the “plumber's nightmare” phases, which are metastable for neat DBCPs, could be stabilized in block copolymers with designed dispersity, namely, binary blends composed of a gyroid‐forming DBCP and a homopolymer‐like DBCP. The spatial distribution of different monomers reveals that these two types of DBCPs are segregated such that the homopolymer‐like component is localized at the nodes to relieve the packing frustration. Simultaneously, the presence of a local segregation of the two DBCPs on the AB interface regulates the interfacial curvature. These two mechanisms could act in tandem for homopolymer‐like DBCPs with proper compositions, resulting in larger stable regions for the novel bicontinuous phases.
How website information decreases intangibility and influences donation
Authors: Alhoqail Saad A. , Floyd Kristopher
Published: April 2021

The purpose of this article is to understand how online marketing communications influence donors. This article postulates, in the online arena, by taking the intangible and making it real, definite, solid, or easily grasped, one can positively impact donation. The data were collected in a lab where respondents from a university in the southwest United States explored a well‐known nonprofit website. Following the exploration, they responded to a series of survey questions. The findings show that a well‐designed website decreases perceptions of intangibility and increases donation. For inexperienced donors, the affective aspects of the site are more influential in determining donation. Our study is one of the first to focus on how specific information on a nonprofit website may influence donation with regards to intangibility. Our work was limited by the use of students and hypothetical situations. By utilizing cognitively and affectively laden website characteristics effectively, nonprofits can influence decision making and subsequent donation through organizational perceptions of intangibility.
H∞ deconvolution filter for two‐dimensional numerical systems using orthogonal moments
Authors: Boukili Bensalem , El Mallahi Mostafa , El‐Amrani Abderrahim , Hmamed Abdelaziz , Boumhidi Ismail
Published: April 2021

In this article, we propose the issue of H∞ deconvolution filtering for two‐dimensional (2D) systems described by the Fornasini–Marchesini local state‐space model. The main challenge is the design of a deconvolution filter to rebuild the 2D signal so that the filter error system is asymptotically stable and preserves a guaranteed H∞ performance. To overcome this issue, we use some free matrix variables to eliminate coupling between Lyapunov matrix and system matrices to obtain sufficient conditions in linear matrix inequality form to ensure the desired stability and performance of the error systems in the first time. Moreover, we use the orthogonal moments to extract the feature vectors to generate the input system, with the minimum information with and without noise. Simulation examples are provided to show that the new design technology proposed in this article achieves better H∞ performance than the existing design methods. Finally, this work can be very helpful tools for the practitioners in telecommunication, and data scientists to aid them in deconvolution, diagnostic, and transmission.
Independent real‐world application of a clinical‐grade automated prostate cancer detection system
Authors: da Silva Leonard M , Pereira Emilio M , Salles Paulo GO , Godrich Ran , Ceballos Rodrigo , Kunz Jeremy D , Casson Adam , Viret Julian , Chandarlapaty Sarat , Ferreira Carlos Gil , Ferrari Bruno , Rothrock Brandon , Raciti Patricia , Reuter Victor , Dogdas Belma , DeMuth George , Sue Jillian , Kanan Christopher , Grady Leo , Fuchs Thomas J , Reis‐Filho Jorge S
Published: April 2021

Artificial intelligence (AI)‐based systems applied to histopathology whole‐slide images have the potential to improve patient care through mitigation of challenges posed by diagnostic variability, histopathology caseload, and shortage of pathologists. We sought to define the performance of an AI‐based automated prostate cancer detection system, Paige Prostate, when applied to independent real‐world data. The algorithm was employed to classify slides into two categories: benign (no further review needed) or suspicious (additional histologic and/or immunohistochemical analysis required). We assessed the sensitivity, specificity, positive predictive values (PPVs), and negative predictive values (NPVs) of a local pathologist, two central pathologists, and Paige Prostate in the diagnosis of 600 transrectal ultrasound‐guided prostate needle core biopsy regions (‘part‐specimens’) from 100 consecutive patients, and to ascertain the impact of Paige Prostate on diagnostic accuracy and efficiency. Paige Prostate displayed high sensitivity (0.99; CI 0.96–1.0), NPV (1.0; CI 0.98–1.0), and specificity (0.93; CI 0.90–0.96) at the part‐specimen level. At the patient level, Paige Prostate displayed optimal sensitivity (1.0; CI 0.93–1.0) and NPV (1.0; CI 0.91–1.0) at a specificity of 0.78 (CI 0.64–0.89). The 27 part‐specimens considered by Paige Prostate as suspicious, whose final diagnosis was benign, were found to comprise atrophy (n = 14), atrophy and apical prostate tissue (n = 1), apical/benign prostate tissue (n = 9), adenosis (n = 2), and post‐atrophic hyperplasia (n = 1). Paige Prostate resulted in the identification of four additional patients whose diagnoses were upgraded from benign/suspicious to malignant. Additionally, this AI‐based test provided an estimated 65.5% reduction of the diagnostic time for the material analyzed. Given its optimal sensitivity and NPV, Paige Prostate has the potential to be employed for the automated identification of patients whose histologic slides could forgo full histopathologic review. In addition to providing incremental improvements in diagnostic accuracy and efficiency, this AI‐based system identified patients whose prostate cancers were not initially diagnosed by three experienced histopathologists. © 2021 The Authors. The Journal of Pathology published by John Wiley & Sons, Ltd. on behalf of The Pathological Society of Great Britain and Ireland.