bluuebunny/crossref_metadata_2025 huggingface dataset:
Theoretical Evaluation of Some Compounds with Antifungal Effect as Corrosion Inhibitors for Copper in Nitric Acid Solution: DFT Calculations
Authors: M’Bouillé Cissé , Tigori Mougo André , Doumbia Mohamadou Lamine , Niamien Paulin Marius , Touhami Mohamed Ebn , Sfaira Mouhcine
Published: April 2022

Quantum chemical calculations based on Density Functional Theory (DFT) at the B3LYP/6-31G (d,p) basis set were used to study the inhibition performance of four antifungal organic molecules in copper corrosion in 1M nitric acid solution. The quantum chemical descriptors analysis shows that the investigated compounds have good inhibitory abilities in combating copper corrosion. It results that the inhibition efficiency of these molecules is a function of highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) and the energy gap. The inhibition performance of these molecules increases when the energy gap decreases. Finally, the areas containing N, S and C atoms are the most likely sites to bind to the copper surface either by donating or receiving electrons.
Genetic Diversity and Molecular Surveillance of Antimalarial Drug Resistance of Plasmodium falciparum among Hospitals Patients in Benue State Nigeria
Authors: Adulugba O. A. , Amali O. , Manyi M. M. , Ikpa T. F. , Obisike V. U.
Published: April 2022

Introduction: Malaria is a febrile illness caused by parasites of the genus Plasmodium and transmitted by female Anopheles mosquitoes. The genetic diversity and antimalarial drug resistance of Plasmodium falciparum are some of the major challenges of malaria control programme in Nigeria.

Aim: This study was aimed at determining the genetic diversity, and molecular surveillance of antimalarial drug resistance among patients attending Government hospitals in Benue State, Nigeria.

Methodology: Plasmodium falciparum deoxyribonucleic acid was extracted from dried blood spots of 60 positive malariacases among the patients. The diversity of Plasmodium falciparum was done by genotyping 3D7 and FC27 families of merozoite surface protein- 2 alleles. The Plasmodium falciparum multidrug resistance 1 and Plasmodium falciparum kelch13 genes of Plasmodium falciparum were also amplified and assessed by restriction fragment length polymorphism (RFLP) to survey molecular resistance to antimalarial drugs.

Results: The results showed that the frequency of 3D7 allele 37(61.7%) was higher than FC27 allele 18(30.0%). The frequency of merozoite surface protein- 2 infections with both allelic types was 5(8.3%). There was a significant difference in the distribution of the merozoite surface protein two alleles (χ2=25.9,df=2 P<.0.001). Both the Plasmodium falciparum multidrug resistance 1 Asparagine 86Tyrosine (N86Y) and Aspartic acid 1246Tyrosine (D1246Y), had 100 % mutant while the 100% while the Plasmodium falciparum kelch13 G449A had 100% wild type allele.

Conclusion: The current study underscores the need for frequent monitoring of indicators of antimalaria drug resistance in Nigeria.
The Effect of Applying the Principles of Total Quality Management in Achieving the Quality Performance of Supply Chains from the Viewpoint of the Administrative Staff of Tihama Cement Company
Authors: Khudhur Raed Abdalgabbar
Published: April 2022

This study aimed to reveal the relationship between the application of the principles of total quality management and the quality of performance of supply chains from the point of view of the administrative staff of Tihama Cement Company. It also aimed to know the extent to which the administrative staff of Tihama Cement Company is familiar with the concept of total quality management and their attitudes towards the application of total quality management and to know the requirements for applying the principles of total quality management from their point of view. The study sample included (48) participants. The researcher designed a questionnaire and distributed it to the sample members. Moreover, the descriptive analytical approach was used, and the percentage of frequencies, arithmetic means, and standard deviations of the answers of the study sample members were calculated.
Estimation of the Production Function of Diyala State Company for Electrical Industries for the Period 2010-2019
Authors: Farhan Mohammed Noori
Published: April 2022

To research the production function of the Diyala General Company for Electrical Industries as part of the industrial companies operating in the public sector is of clear importance within the framework of developing the field of the electrical industry, as the study of the production function has effects in improving the management of the company’s economics, which increases the contribution of this sector to the inputs of other economic sectors in a way that enhances the comprehensive development process. This study aims to estimate the production function of the aforementioned company and analyze it in a standard way to show the contribution and impact of each of its elements on changes in the quantity of production, and then shed light on the production structure and technology. In this study, the production function of Diyala State Company for Electrical Industries was estimated and analyzed for the period 2010-2019, as the method of least squares (OLS) was applied to reach the results of the analysis using the Eviews 10 program. In a functional relationship that was characterized by statistical significance in its estimated transactions and the estimated model in its general form, the model was analyzed economically by indicating the existence of a functional relationship between the quantity of production on the one hand and capital, labor and production requirements on the other hand. The company's use of labor-intensive technology. While the relationship of fixed capital formation and production requirements with the production quantity had a marginal effect, it justified not modernizing (mechanization) and adopting the labor component more than others.
Single Conjugated Polymer with Four Stepwise HOMO Levels for Effective Hole Injection Across Large Barrier 1.4 eV to Core–Shell Quantum Dot Layer for Electroluminescence in Inverted QLED
Authors: Wu Shuo‐En , Sharma Sunil , Chen Hsin‐Lung , Chen Show‐An , Komarov Pavel V. , Ivanov Viktor A. , Khokhlov Alexei R.
Published: April 2022

A novel graded‐HOMO‐level hole transport polymer (g‐HTP) is proposed for the first time with spiro‐polyfluorene (sPF) as the main chain and the three hole‐transporting moieties triphenyl amine (TPA), carbazole (Cz), and N,N′‐dicarbazolyl‐3,5‐benzene (mCP) as side chains for effective hole injection across the large barrier 1.4 eV into the green‐emission core–shell quantum dot (QD) CdSe/ZnS emission layer in inverted QD light‐emitting diode (i‐QLED): ITO/ZnO/QD/HTP/MoO3/Al, in which both oleophilic ligands (OA and TOP) in the QD are partially removed from QD surface by annealing at 270 °C for preventing dissolution by solvent in subsequent coating of hole transport material (HTM) solutions atop and also improving electron and hole mobilities, especially the former. The proposed g‐HTP with various m:n mole ratios of mCP to TPA/Cz moieties along with various reported HTMs (PVK, Poly‐TPD and TFB) are investigated. Among them, the proposed g‐HTP with the comonomer mole ratio 1:1 gives the best performance ηmax 36.1 cd A−1 and Bmax 208 600 cd m−2, which is the highest performance among the reported i‐QLEDs with single hole‐transport layer ever documented. In addition, its efficiency roll off is low from 35.8 cd A−1 at 10 000 cd m−2 to 31.1 cd A−1 at 100 000 cd m−2.
Tyrosine Kinase Inhibitor discontinuation in Chronic Myeloid Leukemia: eligibility criteria and predictors of success
Authors: Inzoli Elena , Aroldi Andrea , Piazza Rocco , Gambacorti‐Passerini Carlo
Published: April 2022

TKI discontinuation proved to be safe and feasible in patients with CML with deep and durable molecular responses, introducing an additional treatment goal for these patients beyond overall survival. However, treatment interruption is a safe procedure only with appropriate patient selection and monitoring. Clinical and biological factors associated with better outcomes do not yet offer a precise stratification of patients according to their risk of relapse. This article aims at reviewing the leading studies present in the field in order to define eligibility criteria for discontinuation and predictors of success.
Prediction of survival with intensive chemotherapy in acute myeloid leukemia
Authors: Sasaki Koji , Ravandi Farhad , Kadia Tapan , DiNardo Courtney , Borthakur Gautam , Short Nicholas , Jain Nitin , Daver Naval , Jabbour Elias , Garcia‐Manero Guillermo , Khoury Joseph , Konoplev Sergej , Loghavi Sanam , Patel Keyur , Montalban‐Bravo Guillermo , Masarova Lucia , Konopleva Marina , Kantarjian Hagop
Published: April 2022

Progress with intensive chemotherapy and supportive care measures has improved survival in newly diagnosed acute myeloid leukemia (AML). Predicting outcome helps in treatment decision making. We analyzed survival as the treatment endpoint in 3728 patients with newly diagnosed AML treated with intensive chemotherapy from 1980 to 2021. We divided the total study group (3:1 basis) into a training (n = 2790) and a validation group (n = 938). The associations between survival and 27 characteristics were investigated. In the training cohort, the multivariate analysis identified 12 consistent adverse prognostic variables independently associated with worse survival: older age, therapy‐related myeloid neoplasm, worse performance status, cardiac comorbidity, leukocytosis, anemia, thrombocytopenia, elevated creatinine and lactate dehydrogenase, cytogenetic abnormalities, and the presence of infection at diagnosis except fever of unknown origin. We categorized patients into four prognostic groups, favorable (7%), intermediate (43%), poor (39%), and very poor (11%) with estimated 5‐year survival rates of 69%, 36%, 13%, and 3% respectively (p < .001). The predictive model was validated in an independent cohort. In a subset of patients with molecular mutation profiles, adding the mutation profiles after accounting for the effects of previous factors identified NPM1 (favorable), PTPN11, and TP53 (both unfavorable) mutations as molecular prognostic factors. The new proposed predictive model for survival with intensive chemotherapy in patients with AML is robust and can be used to advise patients regarding their prognosis, to modify therapy in remission (e.g., proposing allogeneic stem cell transplantation in first remission), and to compare outcome and benefits on future investigational therapies.
Syntheses of Covalent Organic Frameworks via a One‐Pot Suzuki Coupling and Schiff's Base Reaction for C2H4/C3H6 Separation
Authors: Han Xiang‐Hao , Gong Ke , Huang Xin , Yang Jian‐Wei , Feng Xiao , Xie Jing , Wang Bo
Published: April 2022

Covalent organic frameworks (COFs) featuring permanent porosity, designable topologies, and tailorable functionalities have attracted great interest in the past two decades. Developing efficient modular approaches to rationally constructing COFs from a set of molecules via covalent linking has been long pursued. Herein, we report a facile one‐pot strategy to prepare COFs via an irreversible Suzuki coupling reaction followed by a reversible Schiff's base reaction without the need for intermediate isolation. Gram‐scale ordered frameworks with kgm topology and rich porosities can be obtained by using diamino‐aryl halide and dialdehyde aryl‐borate compounds as monomers. The resultant microporous CR‐COFs were used for efficient C2H4/C3H6 separation. This strategy reduces the waste generated and efforts consumed by stepwise reactions and relative purification processes, making the large‐scale syntheses of stable COFs feasible. Moreover, it offers a novel modular approach to designing COF materials.
Divergent Asymmetric Synthesis of Panowamycins, TM‐135, and Veramycin F Using C−H Insertion with Donor/Donor Carbenes
Authors: Bergstrom Benjamin D. , Merrill Amy T. , Fettinger James C. , Tantillo Dean J. , Shaw Jared T.
Published: April 2022

Panowamycins are a group of isochroman‐based natural products first isolated from Streptomyces sp. K07‐0010 in 2012 by Satoshi Ōmura and co‐workers that exhibit modest anti‐trypanosomal activity. Herein we demonstrate the first syntheses of these natural products and their epimers. Stereoselective dirhodium‐catalyzed C−H insertion reactions with a donor/donor carbene construct the substituted isochroman core in the key bond‐forming step. The syntheses are completed without the use of protecting groups and feature a late‐stage Wacker oxidation. Incongruent NMR spectra between natural and synthetic samples revealed the structural misassignment of panowamycin A and veramycin F. Computational NMR studies suggested panowamycin A to be an alternate diastereomer, which was confirmed by synthesizing this isomer. Concurrent with this work, in 2021 Mahmud and co‐workers came to the same conclusion with an updated NMR analysis of panowamycin A. In a divergent, asymmetric sequence, we report the synthesis of panowamycin A, panowamycin B, TM‐135, and veramycin F.
Direct and Simultaneous Identification of Multiple Mitochondrial Reactive Oxygen Species in Living Cells Using a SERS Borrowing Strategy
Authors: Lin Shichao , Ze Huajie , Zhang Xia‐Guang , Zhang Yue‐Jiao , Song Juan , Zhang Huimin , Zhong Han‐Liang , Yang Zhi‐Lan , Yang Chaoyong , Li Jian‐Feng , Zhu Zhi
Published: April 2022

Identification of different mitochondrial reactive oxygen species (ROS) simultaneously in living cells is vital for understanding the critical roles of different ROS in biological processes. To date, it remains a great challenge to develop ROS probes for direct and simultaneous identification of multiple ROS with high specificity. Herein, we report a SERS‐borrowing‐strategy‐based nanoprobe (Au@Pt core–shell nanoparticles) for simultaneous and direct identification of different ROS by their distinct Raman fingerprints. Isotope substitution experiments and DFT calculations confirmed the ability of Au@Pt nanoprobe to capture and identify different mitochondrial ROS (i.e. ⋅OOH, H2O2, and ⋅OH). When functionalized with triphenylphosphine (TPP), the Au@Pt‐TPP nanoprobe located to mitochondria and detected multiple ROS simultaneously in living cells under oxidative stimulation. Our method offers a new tool for the study of the functions of various ROS in biological processes.
Chemically Bonded α‐Fe2O3/Bi4MO8Cl Dot‐on‐Plate Z‐Scheme Junction with Strong Internal Electric Field for Selective Photo‐oxidation of Aromatic Alcohols
Authors: Zhu Zijian , Huang Hongwei , Liu Lizhen , Chen Fang , Tian Na , Zhang Yihe , Yu Han
Published: April 2022

Inferior contact interface and low charge transfer efficiency seriously restrict the performance of heterojunctions. Herein, chemically bonded α‐Fe2O3/Bi4MO8Cl (M=Nb, Ta) dot‐on‐plate Z‐scheme junctions with strong internal electric field are crafted by an in situ growth route. Experimental and theoretical results demonstrate that the internal electric field provides a powerful driving force for vectorial migration of photocharges between Bi4MO8Cl and α‐Fe2O3, and the interfacial Fe−O bond not only serves as an atomic‐level charge flow highway but also lowers the charge transfer energy barrier, thereby accelerating Z‐scheme charge transfer and realizing effective spatial charge separation. Impressively, α‐Fe2O3/Bi4MO8Cl manifests a significantly improved photocatalytic activity for selective oxidation of aromatic alcohols into aldehydes (Con. ≥92 %, Sel. ≥96 %), with a performance improvement of one to two orders of magnitude. This work presents atomic‐level insight into interfacial charge flow steering.
Photoelectrochemical Nitrate Reduction to Ammonia on Ordered Silicon Nanowire Array Photocathodes
Authors: Kim Hyo Eun , Kim Jeehye , Ra Eun Cheol , Zhang Hemin , Jang Youn Jeong , Lee Jae Sung
Published: April 2022

As a new path to “green” ammonia production, photoelectrochemical nitrate reduction reaction (PEC NO3RR) is investigated for the first time. An Au‐decorated ordered silicon nanowire (O_SiNW) array photocathode demonstrates 95.6 % of Faradaic efficiency (FE) to ammonia at 0.2 VRHE, which represents a more positive potential than the thermodynamic reduction potential of nitrate by utilizing photovoltage. The high FE is possible because both Si and Au surfaces are inactive for competing water reduction to hydrogen. The O_SiNW array structure is favorable to promote the PEC NO3RR relative to planar Si or randomly‐grown Si nanowire, by enabling the uniform distribution of small Au nanoparticles as an electrocatalyst and facilitating the mass transport during the reaction. The results demonstrate the feasibility of PEC nitrate conversion to ammonia and would motivate further studies and developments.
Robust Self‐Assembled Molecular Passivation for High‐Performance Perovskite Solar Cells
Authors: Guo Haodan , Fang Yanyan , Cheng Hong‐Bo , Wu Jinpeng , Lei Yan , Wang Shumao , Li Xiangrong , Dai Yuhua , Xiang Wanchun , Xue Ding‐Jiang , Lin Yuan , Hagfeldt Anders
Published: April 2022

Defect passivation via post‐treatment of perovskite films is an effective method to fabricate high‐performance perovskite solar cells (PSCs). However, the passivation durability is still an issue due to the weak and vulnerable bonding between passivating functional groups and perovskite defect sites. Here we propose a cholesterol derivative self‐assembly strategy to construct crosslinked and compact membranes throughout perovskite films. These supramolecular membranes act as a robust protection layer against harsh operational conditions while providing effective passivation of defects from surface toward inner grain boundaries. The resultant PSCs exhibit a power conversion efficiency of 23.34 % with an impressive open‐circuit voltage of 1.164 eV. The unencapsulated devices retain 92 % of their initial efficiencies after 1600 h of storage under ambient conditions, and remain almost unchanged after heating at 85 °C for 500 h in a nitrogen atmosphere, showing significantly improved stability.
Structure of an Ultrathin Oxide on Pt3Sn(111) Solved by Machine Learning Enhanced Global Optimization**
Authors: Merte Lindsay R. , Bisbo Malthe Kjær , Sokolović Igor , Setvín Martin , Hagman Benjamin , Shipilin Mikhail , Schmid Michael , Diebold Ulrike , Lundgren Edvin , Hammer Bjørk
Published: April 2022

Determination of the atomic structure of solid surfaces typically depends on comparison of measured properties with simulations based on hypothesized structural models. For simple structures, the models may be guessed, but for more complex structures there is a need for reliable theory‐based search algorithms. So far, such methods have been limited by the combinatorial complexity and computational expense of sufficiently accurate energy estimation for surfaces. However, the introduction of machine learning methods has the potential to change this radically. Here, we demonstrate how an evolutionary algorithm, utilizing machine learning for accelerated energy estimation and diverse population generation, can be used to solve an unknown surface structure—the (4×4) surface oxide on Pt3Sn(111)—based on limited experimental input. The algorithm is efficient and robust, and should be broadly applicable in surface studies, where it can replace manual, intuition based model generation.
Research on application of twisted oval tubes in rod‐baffle heat exchangers
Authors: Zhou Aimin , Liu Yuce , Sun Lijuan
Published: April 2022

To enhance the flow and heat transfer in the shell side of rod‐baffle heat exchangers (RBHXs), twisted oval tubes were proposed to be installed in RBHXs. The shell‐side performance was compared of RBHXs with circular tubes or twisted oval tubes of different structural parameters (ratios of long to short axes R and twisted pitches S). The results show that not all RBHXs with twisted oval tubes of any configuration parameter is better than RBHXs with circular tubes. When the Re is lower, the ratio of long to short axes R is bigger and the twisted pitch S is smaller; RBHXs with twisted oval tubes are more possible to be better than circular tubes. For both heat exchangers, the effects of clamping methods of tubes, one tube by one rod (OTBOR) and one tube within two rods (OTWTR), and baffle distance Lb were studied. The results show that Nu and f of OTBOR are both smaller than OTWTR. The comprehensive performance Nu/f1/3 of OTBOR is 10.65% better than OTWTR for both heat exchangers. With the increase of baffle distance Lb, Nu and f decrease; however, Nu/f1/3 increases by 7.13% and 12.30% for circular tubes and twisted oval tubes, respectively.
Parametrisierte Modellierung für den Einsatz von KI am Beispiel Betonbrückenbau
Authors: Hoop Simon , Tschickardt Thomas , Schmitt Jürgen
Published: April 2022

Für die Anwendung digitaler Methoden in der Ausführung bietet sich die Erfassung von Bauwerken oder Bauzuständen mithilfe von Laserscanning (LiDAR) an, um anschließend möglichst automatisiert Bauteile zu erkennen und für Baufortschrittskontrollen auszuwerten (Scan to BIM). Für die Bauteilerkennung eignen sich Methoden des Machine Learning, die für verschiedene Klassifikationsprobleme eingesetzt werden. Ein baupraktisches Klassifikationsproblem ist die semantische Segmentierung von Punktwolken, bei der einzelne Punkte bestimmten Bauteilklassen zugeordnet werden. Damit die Klassifikationsaufgaben mit ausreichender Genauigkeit gelöst werden, wird eine große Anzahl an Trainingsdaten benötigt. Im Beitrag werden synthetische Daten für das Training eines künstlich neuronalen Netzwerks (engl. Convolutional Neural Network CNN) hochparametrisiert und vollautomatisch bereitgestellt. Es wird eine Vorgehensweise für die Erstellung von Brückenmodellvariationen auf Grundlage der visuellen Programmierschnittstelle Dynamo in Autodesk Revit vorgeschlagen. Zu Beginn werden nationale Richtlinien für die Definition von Parametern evaluiert, um anschließend diese Parameter in adaptiven Vorlagen des parametrisierten Querschnitts des Überbaus zu verwenden. Der Unterbau wird analog in verschiedenen Vorlagen bereitgestellt. Diese werden entlang der Trassierung in verschiedenen Ausführungen platziert. Jedem Objekt werden Merkmale angehängt und beim Export im herstellerneutralen Datenformat IFC in eine Merkmalstruktur gruppiert. Mit dieser Vorgehensweise ergaben sich zahlreiche Variationen von Brückenmodellen, insbesondere auch Bauzwischenzustände, die für die semantische Segmentierung von Punktwolken und das Training eines CNN herangezogen werden können.
Examining the accuracy of lay beliefs about the effects of personality on prosocial behavior
Authors: Stavrova Olga , Evans Anthony M. , Sleegers Willem , van Beest Ilja
Published: April 2022

Prior research on personality and prosocial behavior has focused on actor‐level effects of personality by examining which personality traits predict individuals' prosocial behavior. But do lay people take into account others' personality when making predictions of others' future prosocial behavior? The present research was designed to answer this question. We focused on two interpersonal traits from the Big Five model, agreeableness and extraversion, and examined whether people have accurate lay beliefs about the effects of these traits on prosocial behavior. The results of four studies showed that participants consistently attributed agreeableness (and to a lesser extent, extraversion) a greater role in predicting others' prosocial behavior compared with the role that it plays in reality. Results were consistent in studies of zero‐acquaintance interactions and close relationships and when people predicted both single instances and aggregated measures of others' prosocial behavior. Our results did not depend on participants' awareness of research hypotheses and persisted even when they were explicitly warned that the information about others' personality might not be accurate. These findings inform the literature on social perception and stereotype accuracy and contribute to our understanding of how people make future‐oriented predictions of others' behavior.
Parental expectations of children’s higher education participation in Australia
Authors: Dockery Alfred M. , Koshy Paul , Li Ian W.
Published: April 2022

The role of parental expectations in determining children's higher education participation is important in understanding both participation and potential policy responses. Using a nationally representative longitudinal survey of Australian households, providing repeat observations on expectations for individual children, this study extends the literature in several respects. First, it examines the adaptation of parental expectations over a 4‐year time frame. Second, it looks at how parental expectations for school children are associated with actual higher education outcomes in the future. Third, the longitudinal aspect of the dataset permits more robust analyses of factors that shape parental expectations. The findings indicate that parental expectations of their children's attendance at university are generally stable across time. Perceptions of children's academic achievement at school are shown to be the key influence in shaping parents' expectations, and behavioural issues at school adversely affect expectations. Australian parents from non‐English‐speaking backgrounds were more likely to form positive expectations of university participation by their children, consistent with studies from other countries. A more nuanced picture of the formation of expectations for sole‐parent mothers is also presented. Positive effects of parental education and children's enrolment in a private school on parents' expectations, over and above any effect on school achievement, highlight these socioeconomic factors as potential causal channels for the intergenerational transmission of socioeconomic outcomes.
Knockout of Sf‐Caspase‐1 generates apoptosis‐resistant Sf9 cell lines: Implications for baculovirus expression
Authors: de Malmanche Henry , Marcellin Esteban , Reid Steven
Published: April 2022

The Sf9 cell line, originally isolated from the insect Spodoptera frugiperda, is commonly used alongside the baculovirus expression vector system (BEVS) to produce recombinant proteins and other biologics. As more BEVS‐derived vaccines and therapeutics are approved by regulators and manufactured at scale, there is increasing interest in improving the Sf9 cell line to improve bioprocess robustness and increase product yields. CRISPR‐Cas9 is a powerful genome‐editing tool with great potential to improve cell line characteristics. Nevertheless, reports of genome‐editing in Sf9 cells are scarce, and targets for engineering are elusive. To evaluate the effectiveness of CRISPR‐Cas9 to improve BEVS yields, we generated Sf9 cell lines with functional knockouts in the Sf‐Caspase‐1 gene, which encodes an effector caspase involved in the execution of apoptosis. Deletion of Sf‐Caspase‐1 abolished the hallmarks of apoptotic cell death including plasma membrane blebbing and effector caspase activity. Following infection of Sf‐Caspase‐1 knockout Sf9 cultures with a recombinant baculovirus expressing β‐galactosidase, we did not observe any differences in cell death kinetics or increases in productivity. Similar results were obtained when Sf‐Caspase‐1 expression was suppressed via RNA interference. We anticipate that the CRISPR‐Cas9 workflow reported here will spur future efforts to rationally engineer Sf9 cells for improved baculovirus expression.
Efficient immobilized phospholipase A1 on Mo‐basing nanomaterials for enzymatic degumming
Authors: Wang Duanhao , Guo Meijing , Li Jiachen , Li Binglin , Wang Jiao
Published: April 2022

Six kinds of Mo‐basing nanomaterials (MoO3, MoO3@Ru, Mo‐PDA, MoPC, MoP, CNT@MoS2) were successfully synthesized, which were employed as carriers to immobilize phospholipase A1 (PLA1) for the hydrolysis of phospholipids (PLs). PLA1 was immobilized by a simple adsorption‐precipitation‐cross‐linking to form an “enzyme net” covering on nanoparticles. The greatest advantage of these nanoparticles was their strong hydrophilic surface. It not only permitted their dispersion in the aqueous phase, but also showed the strong affinity for PLs in the organic phase, because amphiphilic PLs had the polar head group and higher hydrophilicity than other oils components. Michaelis–Menten analysis revealed that higher catalytic activity and enzyme−substrate affinity were observed in several immobilized PLA1 than its free form. MoO3 was confirmed to be the best candidate for carrier. The highest specific activity of MoO3‐immobilized PLA1 reached 43.1 U/mg, which was about 1.8 times higher than that of free PLA1 (24.4 U/mg). In addition, the stability and recycling were also enhanced. The robust immobilized PLA1 was prepared in this work, showing great potential for the enzymatic degumming.
Exploration of adverse patterns of placement of young people in secure care: The unwanted child?
Authors: Smith Jared G. , Bartlett Annie , Hales Heidi
Published: April 2022

Background

Emerging evidence suggests that distant placements and multiple moves may be detrimental to young people in care settings. Less is known about the characteristics of young people in secure care most affected by these processes.

Aims

This study examined distance from home and number of previous placements in English young people detained in secure care and their relationships with organisational and individual characteristics.

Methods

Data were derived from the (2016) cross‐sectional National Adolescent Study census of English young people in secure care, which included 1322 young people across secure mental health, welfare and Youth Justice establishments. Associations were described with odds ratios/95% confidence intervals (OR/CI).

Results

Overall, 285 young people (26.4%) were in secure placements over 100 miles from their family/local authority while 54 (5.6%) had 10 or more previous placements. These rates were higher in secure welfare than other settings (73.8%; OR (CI) = 9.62 (5.72, 16.18), 12.7%; OR (CI) = 2.76 (1.29, 5.91) respectively), and there was significant overlap between long‐distance placement and multiple placements (n = 22; OR (CI) = 2.26 (1.27, 4.04)). Younger age and presence of neurodevelopmental disorder were also associated with long‐distance placements while psychiatric diagnosis, previous secure placement, and previous service contact were linked to multiple placements.

Conclusions

Distant and/or multiple placements in young people in secure care appear common, particularly for those who are placed in secure welfare and who are younger and/or present with a psychiatric disorder. Multi‐agency evaluations that capture the longitudinal experience of these vulnerable young people are needed to understand how undesirable patterns of placement in secure care occur and prevent future instances.
Adolescents with chronic hepatitis C might be good candidates for direct‐acting antiviral therapy
Authors: Sato Ken , Yamazaki Yuichi , Kanayama Yuki , Uehara Daisuke , Tojima Hiroki , Suga Takayoshi , Kakizaki Satoru , Sohara Naondo , Horiguchi Norio , Uraoka Toshio
Published: April 2022

Three Japanese adolescents with chronic hepatitis C were treated by direct‐acting antivirals (DAAs). No adverse events or laboratory abnormalities were observed during and after DAA therapy, and a sustained virological response was achieved in all cases. The emotional functioning of the patients and their mothers were improved after DAA therapy.
Photodistributed pustular acute febrile neutrophilic dermatosis revealing an acute myeloid leukemia
Authors: Saad Sarra , Korbi Mouna , Ben Abdeljelil Nouha , Rakez Rim , Belhadjali Hichem , Laatiri Mohamed Adnene , Zili Jameleddine
Published: April 2022

Sweet syndrome is a rare inflammatory dermatosis that can be associated with various diseases, including leukemias. Physicians should be aware that a photodistributed clinical presentation of a pustular SS may reveal underlying malignancies, particularly hemopathies. If the hemopathy is known, recurrence lesions should be suspected of a relapse.
pH Switchable Water Dispersed Photocatalytic Nanoparticles
Authors: Guernelli Moreno , Menichetti Arianna , Guidetti Gloria , Costantini Paolo Emidio , Calvaresi Matteo , Danielli Alberto , Mazzaro Raffaello , Morandi Vittorio , Montalti Marco
Published: April 2022

Photogeneration of Reactive Oxygen Species (ROS) finds applications in fields as different as nanomedicine, art preservation, air and water depollution and surface decontamination. Here we present photocatalytic nanoparticles (NP) that are active only at acidic pH while they do not show relevant ROS photo‐generation at neutral pH. This dual responsivity (to light and pH) is achieved by stabilizing the surface of TiO2 NP with a specific organic shell during the synthesis and it is peculiar of the achieved core shell‐structure, as demonstrated by comparison with commercial photocatalytic TiO2 NP. For the investigation of the photocatalytic activity, we developed two methods that allow real time detection of the process preventing any kind of artifact arising from post‐treatments and delayed analysis. The reversibility of the pH response was also demonstrated as well as the selective photo‐killing of cancer cells at acidic pH.
Auswirkungen eines erhöhten Wassergehalts auf lösliche Staubkuchenbestandteile in der Oberflächenfiltration – Teil 1: Theoretische Betrachtungen
Authors: Schwarz Almuth D. , Horst David , Meyer Jörg , Zhang Qian , Dittler Achim , Schmidt Eberhard
Published: April 2022

In der Oberflächenfiltration sind die Einflüsse der Prozessbedingungen auf die abgeschiedenen Partikeln von großer Bedeutung. Dazu gehören z. B. Temperatur und Zusammensetzung des Trägergases. Zwei unterschiedliche Erscheinungsformen von Wasser im Trägergas und ihre Auswirkungen auf lösliche Bestandteile im Filterkuchen werden gegenübergestellt. In diesem ersten Teil einer zweiteiligen Arbeit werden zunächst die Grundlagen und ersten Erkenntnisse theoretisch betrachtet. Der Einfluss von erhöhter relativer Feuchte auf die Haftkräfte von löslichen und unlöslichen Partikeln einerseits und von erhöhtem Wassergehalt in Form von Wassertropfen auf den Stofftransport löslicher Partikeln andererseits wird erörtert. Die vielseitigen möglichen Auswirkungen auf das Betriebsverhalten von Oberflächenfiltern durch Wasser und lösliche Partikeln werden aufgezeigt.
Anthropometric factors and the risk of ovarian cancer: A systematic review and meta‐analysis
Authors: Ellwanger Bernadette , Schüler‐Toprak Susanne , Jochem Carmen , Leitzmann Michael F. , Baurecht Hansjörg
Published: April 2022

Background

Excess weight is convincingly associated with several cancers, but the association with ovarian cancer is insufficiently clarified, in particular regarding subgroups defined by menopausal status and ovarian cancer histologic type.

Aims

We carried out a comprehensive systematic review and meta‐analysis of overweight and obesity in relation to ovarian cancer with focus on different subgroups.

Methods and Results

We searched PubMed and Web of Science for relevant cohort and case–control studies published from inception to June 2021 in English language and using a clear definition of overweight and obesity. We combined maximally adjusted risk estimates using a random effects model. We analyzed data from 15 cohort and 26 case–control studies, including 28 471 ovarian cancer cases. The relative risk of ovarian cancer for overweight and obesity was 1.06 (95% confidence interval [CI] = 1.00–1.12) and 1.19 (95% CI = 1.11–1.28), respectively. Among premenopausal women, increased ovarian cancer risk was noted for overweight (RR 1.34; 95% CI = 1.03–1.75) and obesity (RR 1.51; 95% CI = 1.21–1.88). By comparison, among postmenopausal women no statistically significant association was found for overweight (RR 1.00; 95% CI 0.87–1.14) and obesity (RR1.03; 95% CI = 0.82–1.31). Increased risk was found for mucinous (RR 1.44; 95% CI = 1.03–2.01) and clear cell (RR 1.82; 95% CI = 1.11–2.99) ovarian cancer subtypes, but not for serous (RR1.12; 95% CI = 0.84–1.50;) and endometroid subtypes (RR1.24; 95% CI =0.96–1.60).

Conclusions

Obesity is associated with increased ovarian cancer risk. That relation is largely due to a positive association between adiposity and ovarian cancer among premenopausal but not postmenopausal women and among cases with mucinous and clear cell but not serous or endometrioid histology.
Online Prediction with History‐Dependent Experts: The General Case
Authors: Drenska Nadejda , Calder Jeff
Published: April 2022

We study the problem of prediction of binary sequences with expert advice in the online setting, which is a classic example of online machine learning. We interpret the binary sequence as the price history of a stock, and view the predictor as an investor, which converts the problem into a stock prediction problem. In this framework, an investor, who predicts the daily movements of a stock, and an adversarial market, who controls the stock, play against each other over N turns. The investor combines the predictions of experts in order to make a decision about how much to invest at each turn, and aims to minimize their regret with respect to the best‐performing expert at the end of the game. We consider the problem with history‐dependent experts, in which each expert uses the previous d days of history of the market in making their predictions. We prove that the value function for this game, rescaled appropriately, converges as at a rate of to the viscosity solution of a nonlinear degenerate elliptic PDE, which can be understood as the Hamilton‐Jacobi‐Issacs equation for the two‐person game. As a result, we are able to deduce asymptotically optimal strategies for the investor. Our results extend those established by the first author and R.V. Kohn [14] for experts and days of history. © 2022 The Authors. Communications on Pure and Applied Mathematics published by Wiley Periodicals LLC.
PixJS: A novel chaos‐based approach for image encryption
Authors: Tuli Rohan , Soneji Hitesh , Vahora Sahil , Churi Prathamesh , Bangalore Nagachetan M.
Published: April 2022

Image encryption has variety of applications in the healthcare, military, e‐commerce, and education sectors. Along with processing images for various applications, secure storage of such images is essential. For many years, encryption of images is a fruitful method for the secure transmission of multimedia data that carries sensitive information across multiple mediums. There is umpteen number of image encryption methods available which exhibit improved performance either in time, space, or susceptance to attacks in a controlled environment. Few image encryption algorithms have higher computational complexity, whereas some are immune to a handful of attacks (either differential, statistical, brute force, or known‐plaintext and chosen‐plain text attacks). We have developed a novel chaos‐based image encryption algorithm—PixJS for 8‐bit grayscale images based on linear feedback shift register, logistic map, and jumbling process. The algorithm was initially proposed for the text‐based passwords called as jumbling‐salting algorithm in 2014. We conducted a comprehensive analysis of the proposed algorithm on sets of symmetric and asymmetric images (10 samples each) and addressed four research questions primarily based on speed and security parameters. After conducting thorough experimentation, we found that our algorithm outperformed existing algorithms in security and has proven to be resistant to statistical, differential, brute‐force, known plain text, and chosen plain text attacks.
Physiologically‐Based Pharmacokinetic Modelling to Investigate Baricitinib and Tofacitinib Dosing Recommendations for COVID‐19 in Geriatrics
Authors: Wang Ziteng , Chan Eric Chun Yong
Published: April 2022

Janus kinase (JAK) inhibitors baricitinib and tofacitinib are recommended by the US National Institutes of Health as immunomodulatory drugs for coronavirus disease 2019 (COVID‐19) treatment. In addition, baricitinib has recently received Emergency Use Authorization from the US Food and Drug Administration, although the instruction provided dosing information only for adults. Geriatrics with organ dysfunction are one of the most vulnerable cohorts when combating the pandemic. The aim of the present work was to evaluate current dosing strategies of baricitinib and tofacitinib for potential COVID‐19 treatment for White and Chinese geriatric patients with chronic renal impairment. An established physiologically‐based pharmacokinetic (PBPK) modeling framework for age‐dependent simulations was utilized. PBPK drug models adopted from literature were first verified. Several population models representing different age groups, ethnicities, and stages of renal impairment were used for prospective simulations. Notwithstanding the increase in systemic exposure of both drugs resulting from renal dysfunction was more pronounced for geriatrics than general White populations, our simulations confirmed their current dosage adjustments based on renal functions are broadly adequate. The exception being White older subjects with mild renal impairment where current recommendation of 4 mg baricitinib yielded a 2.31‐fold increase in systemic exposure, and reduction to 2 mg could mitigate the potential risk to an acceptable 1.15‐fold. Comparable relationships between systemic exposure and renal dysfunction were observed for both drugs in the Chinese population. In summary, PBPK modeling of both JAK inhibitors supports the rational and prudent dose adjustments of these COVID‐19 therapeutics among adult patients of different age groups and renal functions.
Tissue‐Scale Biomechanical Testing of Brain Tissue for the Calibration of Nonlinear Material Models
Authors: Faber Jessica , Hinrichsen Jan , Greiner Alexander , Reiter Nina , Budday Silvia
Published: April 2022

Brain tissue is one of the most complex and softest tissues in the human body. Due to its ultrasoft and biphasic nature, it is difficult to control the deformation state during biomechanical testing and to quantify the highly nonlinear, time‐dependent tissue response. In numerous experimental studies that have investigated the mechanical properties of brain tissue over the last decades, stiffness values have varied significantly. One reason for the observed discrepancies is the lack of standardized testing protocols and corresponding data analyses. The tissue properties have been tested on different length and time scales depending on the testing technique, and the corresponding data have been analyzed based on simplifying assumptions. In this review, we highlight the advantage of using nonlinear continuum mechanics based modeling and finite element simulations to carefully design experimental setups and protocols as well as to comprehensively analyze the corresponding experimental data. We review testing techniques and protocols that have been used to calibrate material model parameters and discuss artifacts that might falsify the measured properties. The aim of this work is to provide standardized procedures to reliably quantify the mechanical properties of brain tissue and to more accurately calibrate appropriate constitutive models for computational simulations of brain development, injury and disease. Computational models can not only be used to predictively understand brain tissue behavior, but can also serve as valuable tools to assist diagnosis and treatment of diseases or to plan neurosurgical procedures. © 2022 The Authors. Current Protocols published by Wiley Periodicals LLC.

This article was corrected on 16 April 2022. See the end of the full text for details.
Generation of Artificial Thymic Organoids from Human and Murine Hematopoietic Stem and Progenitor Cells
Authors: Montel‐Hagen Amélie , Tsai Steven , Seet Christopher S. , Crooks Gay M.
Published: April 2022

The generation of T cells is a complex, carefully orchestrated process that occurs in the thymus. The ability to mimic T cell differentiation in vitro has opened up avenues to better understand different stages of thymopoiesis but has also enabled the in vitro production of mature T cells suitable for immunotherapy. Among existing protocols, the artificial thymic organoid (ATO) system has been shown to be the most efficient at producing mature conventional T cells. In this serum‐free model, human or murine hematopoietic stem and progenitor cells (HSPCs) are combined with a murine stromal cell line expressing a Notch ligand in a 3D cell aggregate. In ATOs, although only simple medium changes are required throughout the cultures, HSPCs differentiate into T cells with kinetics and phenotypes similar to those of endogenous thymopoiesis. This article describes protocols for the generation of ATOs from human and murine HSPCs. © 2022 Wiley Periodicals LLC.

Basic Protocol 1: Expansion and preparation of MS5‐hDLL4 or MS5‐mDLL4 cells

Basic Protocol 2: Isolation of human hematopoietic stem and progenitor cells (HSPCs; CD34+ cells)

Support Protocol 1: Transduction of human HSPCs (CD34+ cells)

Basic Protocol 3: Production of thymic progenitors and mature T cells from human HSPCs in artificial thymic organoids (ATOs)

Support Protocol 2: Phenotype analysis of human ATO cells by flow cytometry

Basic Protocol 4: Isolation of murine HSPCs (Lin‐ Sca1+ cKit+; LSK) and hematopoietic stem cells (LSK CD150+ CD48‐)

Basic Protocol 5: Production of thymic progenitors and mature T cells from murine HSPCs in ATOs

Support Protocol 3: Phenotype analysis of murine ATO cells by flow cytometry

Alternate Protocol: Generation of ATOs from single HSPCs
Managerial cognition and environmental behavioral intentions: A behavioral reasoning theory perspective
Authors: Bhatt Yogesh , Ghuman Karminder
Published: April 2022

The literature points toward a limited understanding regarding the relationship between managers' cognition and their environmental behavioral intentions. Using behavioral reasoning theory, this study examines the relationships between managers' cognition and their behavioral intentions toward environmental initiatives. Data was collected from 256 managers working in manufacturing firms in India and modeled by structural equation modeling. The modeling of data suggests that managers' reasoning for and against energy‐saving initiatives is positively associated with their self‐enhancement values (SEV) and negatively with their self‐transcendence values (STV). Managers' reasoning regarding the energy‐saving initiatives fully and positively mediates the manifestation of SEV into their positive attitude toward energy saving. The same reasoning fully and negatively mediates the relationship between STV and the attitude toward energy‐saving initiatives. Industry experience of the managers also strengthens the relationship between their values and their “reasoning for” energy‐saving initiatives. The study also offers directions for future research and consequent implications.
Toward an efficient and coordinated control of full‐duplex radio communications in high‐efficiency wireless local area networks
Authors: Hocini Kenza , Yazid Mohand , Ksentini Adlen
Published: April 2022

The full‐duplex radio transmission technique is a prominent feature in the physical layer of the new IEEE 802.11ax standard for promoting the use of WiFi 6, also called HEW (High‐Efficiency Wireless local area network). Based on this unprecedented technique, a WiFi transmitter has the ability to transmit and receive data simultaneously using the same radio channel, thereby doubling the network capacity and spectral efficiency. However, many challenges related to the MAC (medium access control) layer (including full‐duplex configurations, hidden relationship, unbalance between data streams, and overhead) should be addressed to fully benefit from this technique. The aim of this paper is to design, implement, and assess a new Full‐Duplex MAC protocol by meeting the inherent challenges in controlling full‐duplex radio communications. Accordingly, an efficient and coordinated control protocol is proposed, whose basic principle is to exchange all relevant control information and transmit data without loss or unnecessary delay. The performance evaluation of the proposed protocol demonstrates that the results obtained are the best, especially when the network is dense or the traffic from the access point is heavy.