bluuebunny/crossref_metadata_2025 huggingface dataset:
Retracted: Virtual clinic in pregnancy and postpartum healthcare: A systematic review
Authors: Shamsabadi Ahmadreza , Dashti Mohsen , Ghasemzadeh Afsaneh , Mehraeen Esmaeil , Saber Mashhad Taraqi Ashraf , Jalali Aliakbar , Pashaei Zahra , Pashaei Alireza
Published: December 2022

Background and Aims

To monitor the health status of pregnant women moment by moment, new technologies in the field of telemedicine can be used, such as virtual visits and virtual clinics. During the COVID‐19 pandemic, by using these technologies, useful and satisfactory services have been provided to pregnant mothers. The aim of this study is to specify the applications, features, and infrastructure of a comprehensive virtual clinic in the field of gynecological and pregnancy care.

Methods

A systematic review search was conducted through the scientific databases from February 2013 to February 2022 using Scopus, Web of Science, and PubMed. Furthermore, manual searches in Google Scholar and the reference lists of included studies were carried out.

Results

In this systematic review we included 16 articles that reported experiences in virtual clinics in pregnancy and postpartum healthcare. The involved studies were experimental, cohort, and cross‐sectional studies. The target group users were pregnant or women who gave birth and families of neonatal. The application of virtual clinics was for the visit, consultation, monitoring, follow‐up, and home care virtually. Highly satisfaction scores of caregivers after virtual visits and consultation were reported. There were some challenges during virtual visits and consultation; the most important challenge was a poor internet connection.

Conclusion

The reviewed studies show promising outcomes according to patient and provider satisfaction. We predict that telehealth will become a growingly significant part of gynecological care in the future.
Automated handling of complex chemical structures in Z‐matrix coordinates—The chemcoord library
Authors: Weser Oskar , Hein‐Janke Björn , Mata Ricardo A.
Published: December 2022

In this work, we present a fully automated method for the construction of chemically meaningful sets of hierarchical nonredundant internal coordinates (ICs; also commonly denoted as Z‐matrices) from the Cartesian coordinates of a molecular system. Particular focus is placed on avoiding ill‐definitions of angles and dihedrals due to linear arrangements of atoms, to consistently guarantee a well‐defined transformation to Cartesian coordinates, even after structural changes. The representations thus obtained are particularly well suited for pathway construction in double‐ended methods for transition state search and optimizations with nonlinear constraints. Analytical gradients for the transformation between the coordinate systems were derived for analytical geometry optimizations purely in Z‐matrix coordinates. The geometry optimization was coupled with a Symbolic Algebra package to support arbitrary nonlinear constraints in Z‐matrix coordinates, while retaining analytical energy gradient conversion. The difference to the commonly used nonhierarchical IC transformations is discussed. Sample applications are provided for a number of common chemical reactions and illustrative examples.
Development and benchmarking of the first fast Monte Carlo engine for helium ion beam dose calculation: MonteRay
Authors: Lysakovski Peter , Besuglow Judith , Kopp Benedikt , Mein Stewart , Tessonnier Thomas , Ferrari Alfredo , Haberer Thomas , Debus Jürgen , Mairani Andrea
Published: December 2022

Background

Monte Carlo (MC) simulations are considered the gold‐standard for accuracy in radiotherapy dose calculation; however, general purpose MC engines are computationally demanding and require long runtimes. For this reason, several groups have recently developed fast MC systems dedicated mainly to photon and proton external beam therapy, affording both speed and accuracy.

Purpose

To support research and clinical activities at the Heidelberg Ion‐beam Therapy Center (HIT) with actively scanned helium ion beams, this work presents MonteRay, the first fast MC dose calculation engine for helium ion therapy.

Methods

MonteRay is a CPU MC dose calculation engine written in C++, capable of simulating therapeutic proton and helium ion beams. In this work, development steps taken to include helium ion beams in MonteRay are presented. A detailed description of the newly implemented physics models for helium ions, for example, for multiple coulomb scattering and inelastic nuclear interactions, is provided. MonteRay dose computations of helium ion beams are evaluated using a comprehensive validation dataset, including measurements of spread‐out Bragg peaks (SOBPs) with varying penetration depths/field sizes, measurements with an anthropomorphic phantom and FLUKA simulations of a patient plan. Improvement in computational speed is demonstrated in comparison against reference FLUKA simulations.

Results

Dosimetric comparisons between MonteRay and measurements demonstrated good agreement. Comparing SOBPs at 5, 12.5, and 20 cm depth, mean absolute percent dose differences were 0.7%, 0.7%, and 1.4%, respectively. Comparison against measurements behind an anthropomorphic head phantom revealed mean absolute dose differences of about 1.2% (FLUKA: 1.5%) with per voxel errors ranging from ‐4.5% to 4.1% (FLUKA: ‐6% to 3%). Computed global 3%/3 mm 3D‐gamma passing rates of ∼99% were achieved, exceeding those previously reported for an analytical dose engine. Comparisons against FLUKA simulations for a patient plan revealed local 2%/2 mm 3D‐gamma passing rates of 98%. Compared to FLUKA in voxelized geometries, MonteRay saw run‐time reductions ranging from 20× to 60×, depending on the beam's energy.

Conclusions

MonteRay, the first fast MC engine dedicated to helium ion therapy, has been successfully developed with a focus on both speed and accuracy. Validations against dosimetric measurements in homogeneous and heterogeneous scenarios and FLUKA MC calculations have proven the validity of the physical models implemented. Timing comparisons have shown significant speedups between 20 and 60 when compared to FLUKA, making MonteRay viable for clinical routine. MonteRay will support research and clinical practice at HIT, for example, TPS development, validation and treatment design for upcoming clinical trials for raster‐scanned helium ion therapy.
Development of a neighborhood obesogenic built environment characteristics index for the Netherlands
Authors: Lam Thao Minh , Wagtendonk Alfred J. , den Braver Nicolette R. , Karssenberg Derek , Vaartjes Ilonca , Timmermans Erik J. , Beulens Joline W. J. , Lakerveld Jeroen
Published: December 2022

Objective

Environmental factors that drive obesity are often studied individually, whereas obesogenic environments are likely to consist of multiple factors from food and physical activity (PA) environments. This study aimed to compose and describe a comprehensive, theory‐based, expert‐informed index to quantify obesogenicity for all neighborhoods in the Netherlands.

Methods

The Obesogenic Built Environment CharacterisTics (OBCT) index consists of 17 components. The index was calculated as an average of componential scores across both food and PA environments and was scaled from 0 to 100. The index was visualized and summarized with sensitivity analysis for weighting methods.

Results

The OBCT index for all 12,821 neighborhoods was right‐skewed, with a median of 44.6 (IQR = 10.1). Obesogenicity was lower in more urbanized neighborhoods except for the extremely urbanized neighborhoods (>2500 addresses/km2), where obesogenicity was highest. The overall OBCT index score was moderately correlated with the food environment (Spearman ρ = 0.55, p <0.05) and with the PA environment (ρ = 0.38, p <0.05). Hierarchical weighting increased index correlations with the PA environment but decreased correlations with the food environment.

Conclusions

The novel OBCT index and its comprehensive environmental scores are potentially useful tools to quantify obesogenicity of neighborhoods.
Introducing N‐Heteroaromatic Bases into Copper(II) Thiosemicarbazon Complexes: A Way to Change their Biological Activity
Authors: Ulchina Ianina , Graur Vasilii , Tsapkov Victor , Chumakov Yurii , Garbuz Olga , Burduniuc Olga , Ceban Emil , Gulea Aurelian
Published: December 2022

Three new copper(II) complexes, [Cu(1,10‐Phen)(L)] (1), [Cu(2,2′‐Bpy)(L)] (2) and [Cu(3,4‐Lut)(L)] (3), where H2L=2‐[(2,4‐dihydroxyphenyl)methylidene]‐N‐(prop‐2‐en‐1‐yl)hydrazine‐1‐carbothioamide, 1,10‐Phen=1,10‐phenanthroline, 2,2′‐Bpy=2,2′‐bipyridine, 3,4‐Lut=3,4‐lutidine, have been synthesized and characterized by elemental analysis, FTIR spectroscopy and single crystal X‐ray crystallography (1, 2). All compounds are mononuclear. The introduction of a monodentate N‐heteroaromatic base (3,4‐dimethylpyridine) has led to a significant increase of antimicrobial activity against Gram‐negative Escherichia coli and antifungal activity against Candida albicans compared to the pro‐ligand and the precursor complex [Cu(L)H2O]. The introduction of bidentate N‐heteroaromatic bases did not lead to such increase of antimicrobial and antifungal activities. Moreover, complex 3 surpasses the inhibitory activity of tetracycline toward Enterobacter cloacae and the inhibitory activity of fluconazole toward Candida parapsilosis and Cryptococcus neoformans. The study of antioxidant activity against cation radicals ABTS⋅+ showed that complexes 1–3 are more active than Trolox, but only introduction of the monodentate N‐heteroaromatic base (3,4‐dimethylpyridine) led to the increase of antioxidant properties compared to the precursor complex.
Introduction to The Plant Phenome Journal special section on belowground phenotyping
Authors: Tracy Saoirse R. , Northrup Daniel L.
Published: December 2022

The Plant Phenome Journal is excited to present 10 papers that were submitted in a special section on belowground phenotyping. Plant roots and their environment are important for crop resilience and resource efficiency. To meet growing productivity challenges, breeders will benefit from tools that are developed to optimize belowground traits.
A study on inspection schemes in optimal design of control charts for deteriorating processes
Authors: Pasha M. A. , Deardon Rob , Rahim Abdur
Published: December 2022

The non‐uniform inspection scheme obtained by the constant integrated hazard procedure overcomes the uniform scheme economically in optimal design of control charts. The comperative study is generalized in this paper to an optimization problem which looks for the optimal sampling points among all possible sampling schemes. The objective function is simplified here by modelling sequential time intervals as a family of functions of the first sampling interval, which also has been induced by the constant integrated hazard approach. The study demonstrates the model implementation through the economic design of and T2‐Hotelling control charts, both under the two widely used process failure mechanisms, that is, Weibull and Chen distributions. A comprehensive numerical investigation illustrates the possibility of existence of sampling schemes which outperform the constant integrated hazard approach and emphasizes the necessity of further investigation into the solution procedure.
Structural Properties Covalent Organic Frameworks (COFs): From Dynamic Covalent Bonds to their Applications
Authors: Heravifard Zahra , Akbarzadeh Ali Reza , Tayebi Leila , Rahimi Rahmatollah
Published: December 2022

Covalent organic frameworks (COFs) are classified as lightweight, ordered, porous organic polymeric compounds. COF‐based materials are comprised of the covalent bonds of lightweight elements, such as C, B, O, Si, and N, with structural units. They can be used in various industrial applications. There have been significant advances in the design and synthesis of covalent organic frameworks and their applications in gas storage, catalysis, adsorption, purification of small molecules, optoelectronics, molecular sensing, biomedical, targeted drug delivery, conductive membrane, and energy storage. COFs demonstrate fascinating optical and electrical properties. This review has endeavored to categorize and investigate the essential physicochemical properties of COFs for further studies and investigations.
N, N’‐Disubstituted Benzimidazolium Salts: Synthesis, Characterization, Micromolar Detection of Fe(III) ions in Aqueous system, Biological Evaluation and Molecular Docking Studies
Authors: Sharma Himshikha , Chaudhary Shweta , Nirwan Sonam , Kakkar Rita , Liew Hui Shan , Low May Lee , Mai Chun‐Wai , Hii Ling‐Wei , Leong Chee‐Onn , Daisy Milton Marilyn
Published: December 2022

A series of dicationic N, N’‐disubstituted benzimidazolium salts with Br− and PF6− as the counter anions were synthesized in 75–98 % yields. The single crystal X‐ray diffraction studies of one of the benzimidazolium salts confirmed the structure of these dicationic compounds. These salts exhibited a selective “turn‐off” fluorescence response toward Fe3+ ions in aqueous solution over the other competitive metal ions such as Ag+, Al3+, Ba2+, Ca2+, Co2+, Cr3+, Cu2+, Fe2+, K+, Mg2+, Na+, Ni2+, Pb2+, and Zn2+. Upon addition of 5 equivalents Fe3+ ions, emission intensity was quenched by 94–99 % in pure aqueous media. Detection limits for all probes with Fe3+ ions were found in micromolar range. Further, drug combination analysis was conducted by evaluating the combinatorial treatment effects of two benzimidazolium salts with doxorubicin on breast cancer cells using the Chou‐Talalay method and the Highest Single Agent (HSA) model, and it was found that these compounds showed synergism with doxorubicin. Further, molecular docking studies revealed the best docking score (−6.11) for one of the benzimidazolium salts, and explained its binding affinity with checkpoint kinase 2 (chk2) protein.
Two‐Dimensional MXenes for Energy Storage: Computational and Experimental Approaches
Authors: Saharan Sunita , Ghanekar Umesh , Meena Shweta
Published: December 2022

Two‐dimensional (2D) MXenes (transition metal carbides and nitrides) have gained immense attention in energy storage applications due to their tunable surface properties, broad adsorption (Ultra violet to Near infrared) ability, specific layered structure, superior spin‐orbit coupling, etc. Various structures of MXenes (2D layers to quantum dots) have been studied with mechanical, thermal, optical, and electronic properties. So far, MXenes are mainly reported with experimental studies, and limited with simulation studies. Now, a trend of combined experimental and simulation studies has evolved, but there are only few such examples in the literature. We have also noticed a lack of comprehensive discussion/or report on multifunctionality of 2D MXenes. Here in this article, we have reviewed not only a basic design of 2D MXenes, but also addressed their multifunctionality with their advantages and disadvantages. Various experimental and theoretical studies of 2D MXenes have also been discussed in this review. A convincing perspective of surface engineered MXenes at nanoscopic and elemental levels have been covered comprehensively.
Roles of Molecular Structure in the Catalytic Cracking of n‐Heptane, Methylcyclohexane and Cyclopentene over HZSM‐5 Zeolites
Authors: Qiao Huimin , Ma Zhenzhou , Hou Xu , Chen Bochong , Huang Jing , Yuan Enxian , Cui Tingting
Published: December 2022

Catalytic cracking technology is an important candidate for the crude‐to‐chemicals, which is promising to convert oil into chemicals by a clean and efficient way. n‐Heptane, methylcyclohexane and cyclopentene catalytic cracking over HZSM‐5 zeolites were studied at 320–550 °C under atmosphere, and a particular attention was paid to the effects of reaction temperature and time on stream. The cracked gas was analyzed by an online gas chromatograph, and the spent HZSM‐5 zeolites were characterized by TG, N2 physisorption and NH3‐TPD. It provided detailed information about the conversion, product distribution, coke formation and catalyst deactivation. Furthermore, the roles of molecular structure in the reaction network were discussed based on the carbenium ion mechanism. It was found that the protolytic cracking and hydride transfer was favored by n‐heptane due to the linear structure; the demethylation, protolytic ring‐opening and protolytic dehydrogenation was favored by methylcyclohexane due to the methyl group and cyclic structure; the protonation and oligomerization was favored by cyclopentene due to the cyclic and C=C structure. This made a significant difference on the catalytic performance: The activity was in a descending order of n‐heptane≈cyclopentene>methylcyclohexane. Alkane formation was in a descending order of n‐heptane>methylcyclohexane>cyclopentene. Aromatic and coke formation were in a descending order of cyclopentene>methylcyclohexane>n‐heptane.
Regioselective Benzylation of Quinoxalin‐2(1H)‐ones with Methylarenes Under Transition‐Metal‐Free Conditions
Authors: Shi Yuan , Hou Jiahao , Wang Kai , Ding Yuxin , Wei Tingting , Yu Zhichen , Su Weike , Xie Yuanyuan
Published: December 2022

A simple protocol of metal‐free C−H benzylation on the C3 position of quinoxalin‐2(1H)‐ones via the oxidation of Di‐tert‐butyl peroxide (DTBP) was developed. This environmentally friendly transformation showed high efficiency and well‐tolerated functionalization, providing the desired products in moderate to good yields. The radical mechanism was confirmed by control experiment as well.
Electrochemical Analysis of Food additive Vanillin using Poly (Aspartic Acid) Modified Graphene and Graphite composite Paste Sensor
Authors: Prinith Nambudumada S. , Manjunatha Jamballi G. , Albaqami Munirah D. , Mohamed Tighezza Ammar , Sillanpää Mika
Published: December 2022

Vanillin (VLN) is generally used in bakery food products as an aroma enhancer and flavoring agent. Hence it is important to develop a powerful and rapid tool to monitor the concentration of VLN levels concerning food safety. In this paper, a simple sensor was proposed by electropolymerized Aspartic acid (ASP) modified on Graphene and Graphite composite paste electrode (PASPMGN/CPE) for the detection of VLN by differential pulse voltammetry (DPV). PASPMGN/CPE ranked to have high electrocatalytic kinetics towards electro‐oxidation of VLN, in optimized conditions. The electrochemical process of VLN is portrayed to be irreversible and adsorption‐controlled kinetics by the cyclic voltammetry (CV) method. The surface features were studied using Field Emission Scanning Electron Microscopy (FE‐SEM), Energy Dispersive X‐ray Spectroscopy (EDX), Electrochemical Impedance Spectroscopy (EIS) and CV. From DPV results, the oxidative peak current showed linear growth toward the concentration of VLN ranging from 1.0 μM to 15.0 μM with a limit of detection and quantification of 4.85 μM and 16.2 μM. The modified sensor attained to be highly selective with common possible interferents. PASPMGN/CPE was efficient in detecting VLN in vanilla pods, essence and bakery product samples.
Magnetic Dispersive Solid‐Phase Extraction Using Toner Powder for Trace Determination of Heavy Metals in Vegetables and Aqueous Media by FAAS: Box‐Behnken Design
Authors: Mahmoudian Masoumeh , Sarrafi Amir Hossein Mohsen , Konoz Elaheh , Niazi Ali
Published: December 2022

In this work, toner powder as a magnetic adsorbent coupled with a dispersive solid phase extraction (DSPE) method was proposed for the pre‐concentration and separation of Pb2+, Cd2+, and Zn2+ in vegetable samples and aqueous environments. Flame atomic absorption spectrometry (FAAS) was used for the final analysis of the ions. Adsorbent characterization was studied by scanning electron microscope (SEM), transmission electron microscopy (TEM), Fourier‐transform infrared spectroscopy (FTIR), X‐ray diffraction analysis (XRD), and vibrating‐sample magnetometer (VSM). The effect of experimental factors on the extraction efficiency was investigated by Box‐Behnken design (BBD). The maximum recovery percentage was found to be 95.40%, 95.40%, and 97.40% for Pb2+, Cd2+, and Zn2+, respectively. In the optimum conditions, the linearity ranges were obtained 12–200, 1–150, 0.4–100 μg L−1 for the Pb, Cd, and Zn ions, respectively. The limit of detection (LOD) of the method was found 3.60, 0.30, and 0.11 μg L−1 for the Pb2+, Cd2+, and Zn2+, respectively. The suggested procedure indicated to be appropriate, cost‐effective, and eco‐friendly for extraction of mentioned metal ions in different vegetables and water samples with high precision and accuracy.
Tag‐Free Enzymatic Modification for Antibody−Drug Conjugate Production
Authors: Yamazaki Shunsuke , Matsuda Yutaka
Published: December 2022

Currently, although >10 antibody−drug conjugates (ADCs) are available in the market, most of them (10 ADCs) have broad drug distribution, thereby potentially limiting their therapeutic index. The ADC industry is shifting from random conjugation technology to site‐specific conjugation technology to overcome this issue. Enzymatic site‐specific conjugation is a promising cutting‐edge technology owing to its mild conjugation conditions. This review discussed enzymatic conjugation strategies for producing ADCs via modifying native antibodies without using a tag moiety. We described the comparison of the three main conjugation technologies used to produce site‐specific ADCs. Each of the three enzymatic approaches described in this review differs in their advantages and disadvantages, providing pharmaceutical companies the option to select an approach suitable to their purpose and/or target protein.
Hybrid Pyrazole‐Tetrazole Derivatives with High α‐Amylase Inhibition Activity: Synthesis, Biological Evaluation and Docking Study
Authors: Harit Tarik , Cherfi Mounir , Elhouda Daoudi Nour , Isaad Jalal , Bnouham Mohamed , Malek Fouad
Published: December 2022

The elaboration of some N‐alkylated pyrazole‐tetrazole derivatives is reported. The structures of the newly ones are verified using NMR and FTIR spectroscopies, mass spectrometry as well as elemental analysis. Their potencies to inhibit the α‐amylase enzyme were evaluated using spectrophotometric method and the obtained results showed that some of them were extremely potent with respect to the used positive control. The structure activity relationship showed that the α‐amylase inhibition activity depends on the alkylation position as well as the nature of the alkyl moiety and the alkylation at the N1 position with a donor group improves the α‐amylase inhibition activity. Docking study was also performed and the obtained results support the experimental results in the case of the alkylation position effect. These findings suggest that the molecules reported in this study may be used as good drug candidate to treat Type 2 diabetes.
Ultrasound‐Assisted Green Synthesis of Pyrrole‐Fused Pyrimidine and Imidazole Rings through a Tandem Pseudo‐Four‐Component Reaction
Authors: Alizadeh Abdolali , Hasanpour Hamidreza , Rezaiyehraad Reza
Published: December 2022

A new series of 1H‐pyrrolo[1,2‐a]imidazol‐6‐yl)acetamides and pyrrolo[1,2‐a]pyrimidin‐7‐yl)acetamides were synthesized by the ultrasound‐assisted tandem pseudo‐four‐component reaction (pseudo‐4CR). The present study reports the use of phenyglyoxal derivatives, malononitrile, 1,1‐bis(methylsulfanyl)‐2‐nitroethene, and diamines in EtOH as a green solvent to reach a product with excellent yields (85–95 %). Their structures were characterized by spectroscopic data (IR, MS, 1H, and 13C NMR) and verified by X‐ray analysis. The results revealed the influence of the electron‐withdrawing or electron‐donating substituent on the arylglyoxal ring and carbon chain length of the diamine on the formation of final product (pyrrole or pyridine ring). 1,2‐Diamines with arylglyoxal having electron‐withdrawing and electron‐donating substituent trigger the formation of the pyrrole and pyridine ring, respectively. However, 1,3‐diamines lead to only the formation of the pyrrole ring. This efficient and green protocol has remarkable advantages, such as abundant starting materials, simple operation, clean reaction profile, easy purification without traditional methods (i. e., column chromatography and crystallization), excellent tolerance to various substituents, and relatively short reaction time.
In Vitro Inhibitory Activity and Molecular Docking Study of Selected Natural Phenolic Compounds as AR and SDH Inhibitors**
Authors: Türkeş Cüneyt , Demir Yeliz , Beydemir Şükrü
Published: December 2022

Polyol pathway enzymes, aldose reductase (EC 1.1.1.21; AR, ALR2), and sorbitol dehydrogenase (EC 1.1.1.14; SDH, SORD) have been widely investigated as the enzymes crucially involved in the pathogenesis of several chronic complications, including nephropathy, neuropathy, retinopathy, and cataracts associated with diabetes mellitus. Although phenolic compounds have been reported to possess many other biological activities, in continuation of our interest in designing and discovering potent inhibitors of AR and SDH, herein, we have evaluated these agents’ inhibitory potential against polyol pathway enzymes. Our in vitro studies revealed that all the derivatives show activity against recombinant human AR (rhAR) and SDH (rhSDH), with KI constants ranging from 9.37±0.16 μM to 77.22±2.49 μM and 2.51±0.10 μM to 42.16±1.03 μM, respectively. Among these agents, Prunetin and Phloridzin showed prominent inhibitory activity versus rhAR and rhSDH, while some were also determined to possess perfect dual activity. Moreover, in silico studies were also performed to rationalize binding site interactions of these agents with the target enzyme AR and SDH. According to ADME‐Tox was also determined that these derivatives be agents exhibiting suitable drug‐like properties. The compounds identified therapeutic potentials in this study may be promising for developing lead therapeutic agents to prevent polyol pathway complications.
Therapeutic Potential of Chlorophyll Functionalized Carbon Quantum Dots against Cervical Cancer
Authors: Alam Md Bayazeed , Minocha Tarun , Yadav Sanjeev K. , Parmar Avanish Singh
Published: December 2022

Cervical cancer is an emerging gynecological disorder that affects the morbidity and mortality of the females worldwide. In 2018, according to the World Health Organization, 570,000 women were diagnosed with cervical cancer and 311,000 women died from the condition. Various anticancer agents are in the run to combat cervical cancer but overall results are still demoralizing. Various reports suggest that Quantum dots are being used as promising agents against several types of cancer. In the current study, we synthesized high‐quantum yield chlorophyll functionalized carbon quantum dots (Chl‐CQDs) from banana leaves with a simple and environment friendly hydrothermal process. The free radical activity of Chl‐CQDs was measured using diphenyl picrylhydrazyl (DPPH) and azino‐bis (ethylbenzothiazoline sulphonic acid) diammonium salt (ABTS⋅+), as well as their cytotoxic, bioimaging, and apoptogenic properties were also evaluated on normal cell line HEK‐293 and human cancer cell lines SiHa. Our results of dimethylthiazol diphenyltetrazolium bromide tetrazolium reduction (MTT) assay showed that Chl‐CQDs have profound effect on SiHa cells with an IC50 of approximately 100 μg/ml after 24 hours and no effect HEK‐293 cells. Bioimaging and apoptogenic assays confirmed that Chl‐CQDs exhibited strong therapeutic potential against SiHa cells and no cytotoxic potential against HEK‐293 cells. The cumulative findings suggested that Chl‐CQDs exhibited non‐cytotoxic nature against HEK‐293 cells whereas cytotoxic nature against SiHa cells.
Complicated Mixtures: Repurposing the Chthulucene’s Troublesome Trash in Toy Story 4
Authors: Burton Lindsay
Published: December 2022

In a world plagued by plastic pollution (among other environmental threats), children’s stories dedicated to the positive role of plastic toys in children’s lives ought to be categorized as out of touch at best and immoral at worst. Disney’s Toy Story franchise, however, remains as popular as ever, with the fourth installment released in 2019 netting a slew of nominations and awards, including the Academy Award for Best Animated Feature. This paper examines the merits of Toy Story 4 as a posthumanist text that productively co-exists alongside and enters into dialogue with environmental critiques of plastic trash. I draw on Karen Barad’s new materialist theory of agential realism to reframe what is inherently a pro-plastic narrative into one that exemplifies the necessity of becoming comfortable with trash, with being lost, and with different approaches to reproduction, if, as Donna Haraway suggests, we are to stay with the trouble of irreversible plastic pollution that defines our Anthropocenic era.
When population-advantageous primary sex ratios are female-biased: changing concepts to facilitate climate change management in sea turtles
Authors: Santidrián Tomillo Pilar
Published: December 2022

Sea turtles have temperature-dependent sex determination. Because females are produced at high temperatures, increasing global temperature may lead to population feminization. Primary sex ratios (PSR) of sea turtle hatchlings are naturally female-biased, but this translates into a more balanced operational sex ratio because male turtles reproduce more often than females. As a consequence, a balanced PSR and the temperature that produces it (pivotal temperature) are of limited use to guide climate mitigation management because an equal PSR may be demographically suboptimal. Here, I define population-advantageous primary sex ratios (PA-PSR) as the PSR that will tend to be in equilibrium in a population and that will result in balanced operational sex ratios; I then estimate PA-PSR for different reproductive frequencies (years elapsed between reproductive seasons) of adult female and male turtles. I also define population equilibrium temperature (PET) as the temperature that would result in the equilibrium PSR of hatchlings (i.e., PA-PSR). These concepts may help assess the influence of rising temperatures on populations, as they can better indicate if PSRs depart from those at equilibrium. I compared PA-PSR and beach PSR for two populations of sea turtles for which male and female remigration intervals were known and found that a mild or no feminization over the PA-PSR may be occurring. Because PSR varies inter-annually, and hatchlings coming from beaches of different thermal conditions could recruit to the same population, it is critical to estimate beach PSR at the right temporal and spatial scales. Climate mitigation strategies based on these concepts could provide better management guidance for conservation practitioners. Similar approaches could be considered for other female-biased species with temperature-dependent sex determination.
Customers’ motives to co-create in smart services interactions
Authors: Roy Sanjit K. , Singh Gaganpreet , Hatton Corey , Dey Bidit , Ameen Nisreen , Kumar Satish
Published: December 2022

The paper identifies and analyses customers’ motives to co-create when interacting with smart services by integrating the self-determination theory with coordination mechanisms. The study also examines the how and to what extent value co-creation impacts on word-of-mouth and customer-based brand equity. An online questionnaire was employed for empirically validating the research model. The relationships were examined using partial least square path modelling. The findings show that intrinsic and extrinsic motives are significant antecedents of value co-creation. The coordination mechanisms namely, relating and knowing also significantly influence customers’ involvement in the value co-creation process. Results also show that value co-creation mediates the relationship between customers motives (intrinsic and extrinsic) to co-create and consequences. Findings of this study adds to the human–computer interaction literature by strengthening the nomological network of value co-creation when interacting with smart services by proposing a novel model integrating both the antecedents and outcomes of value co-creation. By recognizing how this practice could be motivated, service providers can bolster customer-firm interactions and enable favourable firm level consequences.
Feasibility study for estimating optimal substrate parameters for sustainable green roof in Sri Lanka
Authors: Kader Shuraik A. , Spalevic Velibor , Dudic Branislav
Published: December 2022

In twenty-first century buildings, green roof systems are envisioned as great solution for improving Environmental sustainability in urban ecosystems and it helps to mitigate various health hazards for humans due to climatic pollution. This study determines the feasibility of using five domestic organic wastes, including sawdust, wood bark, biochar, coir, and compost, as sustainable substrates for green roofs as compared to classical Sri Lankan base medium (fertiliser + potting mix) in terms of physicochemical and biological parameters associated with growing mediums. Comprehensive methodologies were devised to determine the thermal conductivity and electric conductivity of growing mediums. According to preliminary experimental results, the most suitable composition for green roof substrates comprised 60% organic waste and 40% base medium. Sawdust growing medium exhibited the highest moisture content and minimum density magnitudes. Biochar substrate was the best performing medium with the highest drought resistance and vegetation growth. The wood bark substrate had the highest thermal resistance. Growing mediums based on compost, sawdust, and coir produced the best results in terms of nitrate, phosphate, pH, and electric conductivity (EC) existence. This study provided a standard set of comprehensive comparison methodologies utilising physicochemical and biological properties required for substrate characterization. The findings of this research work have strong potential in the future to be used in selecting the most suitable lightweight growing medium for a green roof based on stakeholder requirements.
Genomics-based assembly of a sorghum bicolor (L.) moench core collection in the Uganda national genebank as a genetic resource for sustainable sorghum breeding
Authors: Mufumbo R. , Chakrabarty S. , Nyine M. , Windpassinger S. M. , Mulumba J. W. , Baguma Y. , Odong L. T. , Frisch M. , Snowdon R. J.
Published: December 2022

The Uganda National GeneBank is a key reservoir of genetic diversity for sorghum (Sorghum bicolor (L.) Moench), with over 3333 accessions which are predominantly landraces (96.48%), but also includes the weedy accessions (0.63%), breeding lines (2.5%) and released varieties (0.39%). This genetic resource from the primary center of sorghum diversity and domestication is important for broadening the genetic diversity of elite cultivars through breeding. However, due to the large size of the collection, we aimed to select a core set that captures the maximum genetic and phenotypic diversity, in order to facilitate detailed genetic and phenotypic evaluation at a reduced cost. To achieve this, we genotyped the entire collection in 2020 using Diversity Array Technology sequencing (DArTseq). A total of 27,560 SNPs were used to select a core collection of 310 accessions using the GenoCore software. A comparison of core set and the whole collection based on the polymorphism information content, observed heterozygosity, expected heterozygosity and minor allele frequency showed no significant difference between the two sets, indicating that the core collection adequately captures the genetic diversity and allelic richness present in the whole collection. The core collection captures all the five major sorghum races and the 10 intermediate hybrids. The most strongly represented race is guinea (24.5%), while caudatum-bicolor is least frequent (0.69%). Landraces account for 92.2% of the core collection, whereas breeder’s lines, weedy accessions and released varieties contribute 2.2%, 3.5% and 1.9%, respectively.
Three segment ligation of a 104 kDa multi-domain protein by SrtA and OaAEP1
Authors: Azatian Stephan B. , Canny Marella D. , Latham Michael P.
Published: December 2022

NMR spectroscopy is an excellent tool for studying protein structure and dynamics which provides a deeper understanding of biological function. As the size of the biomolecule of interest increases, it can become advantageous to dilute the number of observed signals in the NMR spectrum to decrease spectral overlap and increase resolution. One way to limit the number of resonances in the NMR data is by selectively labeling a smaller domain within the larger macromolecule, a process called segmental isotopic labeling. Many examples of segmental isotopic labeling have been described where two segments of a protein are ligated together by chemical or enzymatic means, but there are far fewer descriptions of a three or more segment ligation reaction. Herein, we describe an enzymatic segmental labeling scheme that combines the widely used Sortase A and more recently described OaAEP1 for a two site ligation strategy. In preparation to study proposed long-range allostery in the 104 kDa DNA damage repair protein Rad50, we ligated side-chain methyl group labeled Zn Hook domain between two long segments of otherwise unlabeled P.furiosus Rad50. Enzymatic activity data demonstrated that the scars resulting from the ligation reactions did not affect Rad50 function within the Mre11-Rad50 DNA double strand break repair complex. Finally, methyl-based NMR spectroscopy confirmed the formation of the full-length ligated protein. Our strategy highlights the strengths of OaAEP1 for segmental labeling, namely faster reaction times and a smaller recognition sequence, and provides a straightforward template for using these two enzymes in multisite segmental labeling reactions.
Absolute quantification of cellular levels of photosynthesis-related proteins in Synechocystis sp. PCC 6803
Authors: Jackson Philip J. , Hitchcock Andrew , Brindley Amanda A. , Dickman Mark J. , Hunter C. Neil
Published: December 2022

Quantifying cellular components is a basic and important step for understanding how a cell works, how it responds to environmental changes, and for re-engineering cells to produce valuable metabolites and increased biomass. We quantified proteins in the model cyanobacterium Synechocystis sp. PCC 6803 given the general importance of cyanobacteria for global photosynthesis, for synthetic biology and biotechnology research, and their ancestral relationship to the chloroplasts of plants. Four mass spectrometry methods were used to quantify cellular components involved in the biosynthesis of chlorophyll, carotenoid and bilin pigments, membrane assembly, the light reactions of photosynthesis, fixation of carbon dioxide and nitrogen, and hydrogen and sulfur metabolism. Components of biosynthetic pathways, such as those for chlorophyll or for photosystem II assembly, range between 1000 and 10,000 copies per cell, but can be tenfold higher for CO2 fixation enzymes. The most abundant subunits are those for photosystem I, with around 100,000 copies per cell, approximately 2 to fivefold higher than for photosystem II and ATP synthase, and 5–20 fold more than for the cytochrome b6f complex. Disparities between numbers of pathway enzymes, between components of electron transfer chains, and between subunits within complexes indicate possible control points for biosynthetic processes, bioenergetic reactions and for the assembly of multisubunit complexes.
Farmers Experiencing Potato Seed Degeneration Respond but Do Not Adjust Their Seed Replacement Strategies in Ecuador
Authors: Navarrete Israel , Andrade-Piedra Jorge L. , López Victoria , Yue Xuanyu , Herrera Jazmín , Barzallo Mayra , Quimbiulco Klever , Almekinders Conny J. M. , Struik Paul C.
Published: December 2022

In Ecuador, farmers poorly adopt practices to manage potato seed degeneration. This could be related to the deficient understanding of the farmers’ capacity to experience seed degeneration and respond to it. We contribute to this understanding by answering: How do farmers experience seed degeneration?; What practices do farmers implement when their seed is degenerated?; and Is experiencing degeneration the pivotal factor determining how farmers replace their seed regardless their income? We analysed data collected in Ecuador through farmers’ focus group discussions, farmers’ surveys and interviews, and the Ecuadorian employment status survey. We found that approximately half of the farmers experienced degeneration. Farmers experienced it through low yields, change in seed appearance, crop weakening, and seed physiological problems. When farmers experienced degeneration, they replaced their seed, sought for technical advice, applied more agricultural inputs, or grew other crops. Income was an important trigger for farmers to change their seed replacement practices.
Bounded birationality and isomorphism problems are computable
Authors: Truong Tuyen Trung
Published: December 2022

Let X, Y be two irreducible subvarieties of the projective space $${\mathbb {P}}^n$$

P

n

, and $$d\ge 1$$

d
≥
1

an integer number. The main result of this paper is an algorithm to construct explicitly, in terms of d and the ideals defining X and Y, a quasi-affine algebraic variety parametrising the set of all birational maps f from X onto Y which can be extended to a self-rational map of $${\mathbb {P}}^n$$

P

n

of algebraic degree $$\le d$$

≤
d

. We also prove similar results for the case f is a dominant rational map, regular morphism, isomorphism or regular embedding. Similar results are valid for varieties over an arbitrary algebraically closed field, and also for maps on non-projective varieties.
Alloy modification for additive manufactured Ni alloy components Part II: Effect on subsequent machining properties
Authors: Engelking Lorenz , Schroepfer Dirk , Kannengiesser Thomas , Eissel Antonia , Treutler Kai , Wesling Volker
Published: December 2022

Alloy 36 (1.3912) is an alloy with 36% nickel and 64% iron and is generally classified as a difficult-to-cut material. Increasingly complex structures and the optimization of resource efficiency are making additive manufacturing (AM) more and more attractive for the manufacture or repair of components. Subsequent machining of AM components is unavoidable for its final contour. By using modern, hybrid machining processes, e.g., ultrasonic-assisted milling (US), it is possible to improve the cutting situation regarding the resulting surface integrity as well as the cutting force. Part I deals with the influence of the alloying elements Ti, Zr, and Hf on the microstructure and the hardness of the initial alloy 36. Part II focusses on the effect of the alloy modifications and the ultrasonic assistance on machinability as well as on the surface integrity after finish-milling. The results show a highly significant influence of the ultrasonic assistance. The cutting force during the US is reduced by over 50% and the roughness of approx. 50% compared to conventional milling (CM) for all materials investigated. Moreover, the US causes a defect-free surface and induces near-surface compressive residual stresses. CM leads to a near-surface stress state of approx. 0 MPa.
Peer-Assisted Learning in Undergraduate Medical Education for Resilience and Well-being
Authors: Snapp Cathy , Bassett Casey , Baldwin Amy , Hill Janette R. , DeBusk Ruth
Published: December 2022

Peers are a powerful resource in the learning process. Peer-assisted learning (PAL) is a high value activity for the peer and the coach. We report here a PAL activity focused on resilience and well-being for first-year undergraduate medical students. The model and lessons learned are described.
A Comparative Study of Stand-alone and Cloud-Based Fuzzy Logic Systems for Human Fall Detection
Authors: Pandya Bhavesh , Pourabdollah Amir , Lotfi Ahmad
Published: December 2022

Traditionally, fuzzy logic systems are linked to specific hardware or software systems. Observations reveal that dispersed and distributed designs of intelligent systems are gaining attraction. Due to the possible complexities of fuzzy logic computations, distributed architectures have the potential to add value to the development of fuzzy systems. However, the absence of best practices and standard methodologies may prevent widespread adoption. By broadening the IEEE-1855 (2016) standard in terms of system definition and data exchange, this research offers a standard solution for building a Service-Oriented Architecture (SOA) as a novel method of implementing fuzzy logic systems by means of a cloud-based collecting, processing, and examining data over the web. A comparison between the performances of a stand-alone hardware-dependent solution and a cloud-based solution (known as fuzzy-as-a-service) is performed. The analysis is also carried out on two different cloud service providers and software libraries (Amazon Web Services using JFML as a java-based library and Azure Web Services using Simpful as a python-based library). The analysis and evaluation are performed on a human fall detection scenario involving wearable sensors. The proposed algorithm can identify between fall and non-fall events. However, the results show that the processing time taken per 10,000 samples using smartwatch and mobile was 2220 s and 101 s for a cloud-based non-fuzzy machine learning system, 1111 s and 45 s for a cloud-based fuzzy system with AWS and JFML, and 1250 s and 97 s for a cloud-based fuzzy system with Microsoft Azure and Simpful libraries. It has been observed that a smartwatch with a fuzzy stand-alone crashed after processing 5000 samples and a mobile phone requires 179.42 s to process 10,000 samples.
Design methods of blast resistant façades, windows, and doors in Germany: a review
Authors: van der Woerd Jan Dirk , Wagner Matthias , Pietzsch Achim , Andrae Matthias , Gebbeken Norbert
Published: December 2022

Explosion events represent an extraordinary action for buildings and especially for the building envelope. In addition to accidents in chemical plants or during transport of explosive substances, the threat of terrorist attacks has increased in recent years. Façade constructions, windows, and doors represent weak points in the event of an incident, through which blast waves can enter the building. Debris and fragments resulting from the failure of building components endanger people inside and outside the building. For structures that are threatened, appropriate elements with protective properties must be chosen so that an acceptable level of safety is achieved. The design and execution of a sufficiently blast-resistant building envelope is not a trivial task. In limited cases, necessary protection can be achieved by use of certified products. Since buildings in need of protection mostly have high architectural demands, standard elements can usually not be used. Or the blast load used for certification deviates greatly from the assumed blast load for the threat scenario. There are several methods to verify the explosion resistant properties of façades, windows, doors, etc., e. g. experimental methods, numerical methods, engineering approaches and empirical methods. In this article, an introduction to explosions and their effect on the building envelope is given. Methods for verification of blast resistance are presented and critical discussed. The article presents an overview of the state of the art in practice with a focus on Germany.
Shape and Stability Matter: Enhanced Catalytic Reactions via Sol–gel-Entrapped Catalysts
Authors: Ciriminna Rosaria , Pagliaro Mario
Published: December 2022

The possibility to tune the solid catalyst morphology and the unique chemical and physical stability of organosilica-entrapped sol–gel catalysts allow the application of these catalysts to the synthesis of a wide variety of valued molecules, including polymers, manufactured by the fine-chemical industry. Referring to selected independent research achievements, we provide a practice oriented insight on these materials that will hopefully be useful in new, unified catalysis education aimed to foster the uptake of heterogeneous catalysis in the fine and specialty chemical industry.

Graphic abstract