bluuebunny/crossref_metadata_2025 huggingface dataset:
A multicenter real‐life study to determine the efficacy of corticosteroids and olfactory training in improving persistent COVID‐19‐related olfactory dysfunction
Authors: Pendolino Alfonso Luca , Ottaviano Giancarlo , Nijim Juman , Scarpa Bruno , De Lucia Giulia , Berro Cecilia , Nicolai Piero , Andrews Peter J.
Published: December 2022

Background

No definitive treatment exists to effectively restore function in patients with persistent post‐infectious olfactory dysfunction (OD). Corticosteroids have been considered as a therapeutic option in post‐infectious OD but their benefit in COVID‐19‐related OD remains unexplored. We aim to determine the role of the combination of corticosteroids plus olfactory training (OT) in improving persistent COVID‐19‐related OD.

Methods

A multicenter real‐life cohort study was conducted between December 2020 and April 2022 on patients with reported COVID‐19‐related OD. Only patients with confirmed OD at Sniffin' Sticks (S'S) and those who attended their 6‐month follow‐up were included. Patients were started on a combined treatment of corticosteroids and OT. Patients refusing corticosteroids or not doing any treatment formed the control groups. Visual analogue scale (VAS) for sense of smell and SNOT‐22 were used to assess patients reported symptoms.

Results

Sixty‐seven subjects with reported COVID‐19‐related OD were initially seen. Normosmic patients at S'S (n = 14) and those not attending their follow‐up (n = 9) were excluded. Of the 44 patients included in the analysis, 19 patients had the combined treatment (group A), 16 patients refused to take corticosteroids and did the OT alone (group B) whereas 9 patients did not do any treatment (group C). An improvement of threshold + discrimination + identification (TDI) score (p = .01) and VAS for smell (p = .01) was found in group A whereas only the TDI score improved in group B (p = .04). Presence of comorbidities, age, sex (male), and length of OD negatively influenced olfactory recovery.

Conclusions

Our study confirms the importance of OT in long‐term OD suggesting that the addition of corticosteroids may give a benefit in terms of patient's perceived olfaction.

Level of Evidence

2b
Artificial Cytoskeleton Assembly for Synthetic Cell Motility
Authors: Sauter Désirée , Schröter Martin , Frey Christoph , Weber Cornelia , Mersdorf Ulrike , Janiesch Jan‐Willi , Platzman Ilia , Spatz Joachim P.
Published: December 2022

Imitation of cellular processes in cell‐like compartments is a current research focus in synthetic biology. Here, a method is introduced for assembling an artificial cytoskeleton in a synthetic cell model system based on a poly(N‐isopropyl acrylamide) (PNIPAM) composite material. Toward this end, a PNIPAM‐based composite material inside water‐in‐oil droplets that are stabilized with PNIPAM‐functionalized and commercial fluorosurfactants is introduced. The temperature‐mediated contraction/release behavior of the PNIPAM‐based cytoskeleton is investigated. The reversibility of the PNIPAM transition is further examined in bulk and in droplets and it could be shown that hydrogel induced deformation could be used to controllably manipulate droplet‐based synthetic cell motility upon temperature changes. It is envisioned that a combination of the presented artificial cytoskeleton with naturally occurring components might expand the bandwidth of the bottom‐up synthetic biology.
Self‐Pumping Janus Hydrogel with Aligned Channels for Accelerating Diabetic Wound Healing
Authors: Xiao Wu‐yi , Liu Xi , Wang Wenbo , Zhang Xiaobin , Wang Yuzhe , Lan Jinze , Fan Baoshi , Shi Lianxin , Wan Xizi , Wang Shutao
Published: December 2022

Excessive exudate secreted from diabetic wounds often results in skin overhydration, severe infections, and secondary damage upon dressing changes. However, conventional wound dressings are difficult to synchronously realize the non‐maceration of wound sites and rapid exudate transport due to their random porous structure. Herein, a self‐pumping Janus hydrogel with aligned channels (JHA) composed of hydrophilic poly (ethylene glycol) diacrylate (PEGDA) hydrogel layer and hydrophobic polyurethane (PU)/graphene oxide (GO)/polytetrafluoroethylene (PTFE) layer is designed to rapidly export exudate and accelerate diabetic wound healing. In the design, the ice‐templating process endows the hydrophilic hydrogel layer with superior liquid transport ability and mechanical strength due to the formation of aligned channel structure. The hydrophobic layer with controlled thickness functions as an effective barrier to prevent exudate from wetting the skin surface. Experiments in diabetic rat model show that JHA can significantly promote re‐epithelialization and collagen deposition, shorten the inflammation phase, and accelerate wound healing. This unique JHA dressing may have great potential for real‐life usage in clinical patients.
Adhesion and Cohesion Differences between Catechol‐ and Pyrogallol‐Functionalized Chitosan
Authors: Lee Suyoung , Hwang Dong Soo
Published: December 2022

Marine‐inspired phenolic compounds that exhibit underwater adhesion are used as biomedical adhesives under wet conditions. While these applications mainly use catechol and pyrogallol moieties that contain different numbers of hydroxyl groups on their benzene rings, how this difference affects adhesion and cohesion is not well understood. Herein, the chitosan backbone is functionalized with catechol and pyrogallol at similar modification rates (to give chitosan‐catechol (CS‐CA) and chitosan‐pyrogallol (CS‐GA), respectively) and their interaction energies are compared by using a surface forces apparatus (SFA). The phenolic moieties decrease the rigidity of the chitosan chain and increase solubility; consequently, CS‐CA and CS‐GA are more cohesive and adhesive than chitosan at pH 7.4. Moreover, the additional hydroxyl group of GA provides a further interacting chance; hence, CS‐GA is more cohesive and adhesive than CS‐CA. This study provides in‐depth insight into interactions involving chitosan derivatives bearing introduced phenolic moieties that will help to develop biomedical adhesives.
Chemical compositional analysis of jet fuels: Contributions of mass spectrometry in the 21st century
Authors: Romanczyk Mark
Published: December 2022

Jet fuels are complex mixtures composed of many individual compounds that influence crucial chemical and physical properties. Approximately over the last 20 years, mass spectrometry studies provided important and extensive qualitative and quantitative information of the compounds that make up jet fuels. This review presents these main findings, evaluates the analytical methods utilized, and summarizes the hydrocarbons, nitrogen‐, oxygen‐ and sulfur‐containing compounds characterized in the jet fuels. Potential areas where mass spectrometry may play important roles in the future will also be discussed.
Mixed formulation of mRNA and protein‐based COVID‐19 vaccines triggered superior neutralizing antibody responses
Authors: Zhang Jialu , He Qian , Yan Xujia , Liu Jianyang , Bai Yu , An Chaoqiang , Cui Bopei , Gao Fan , Mao Qunying , Wang Junzhi , Xu Miao , Liang Zhenglun
Published: December 2022

Integrating different types of vaccines into a singular immunization regimen is an effective and accessible approach to strengthen and broaden the immunogenicity of existing coronavirus disease 2019 (COVID‐19) vaccine candidates. To optimize the immunization strategy of the novel mRNA‐based vaccine and recombinant protein subunit vaccine that attracted much attention in COVID‐19 vaccine development, we evaluated the immunogenicity of different combined regimens with the mRNA vaccine (RNA‐RBD) and protein subunit vaccine (PS‐RBD) in mice. Compared with homologous immunization of RNA‐RBD or PS‐RBD, heterologous prime‐boost strategies for mRNA and protein subunit vaccines failed to simultaneously enhance neutralizing antibody (NAb) and Th1 cellular response in this study, showing modestly higher serum neutralizing activity and antibody‐dependent cell‐mediated cytotoxicity for “PS‐RBD prime, RNA‐RBD boost” and robust Th1 type cellular response for “RNA‐RBD prime, PS‐RBD boost”. Interestingly, immunizing the mice with the mixed formulation of the two aforementioned vaccines in various proportions further significantly enhanced the NAb responses against ancestral, Delta, and Omicron strains and manifested increased Th1‐type responses, suggesting that a mixed formulation of mRNA and protein vaccines might be a more prospective vaccination strategy. This study provides basic research data on the combined vaccination strategies of mRNA and protein‐based COVID‐19 vaccines.
Reduced versus standard intradetrusor OnabotulinumtoxinA injections for treatment of overactive bladder
Authors: DiCarlo‐Meacham Angela M. , Dengler Katherine L. , Welch Eva K. , Brooks Daniel I. , Gruber Daniel D. , Osborn David J. , Scarlotta Leah , Vaccaro Christine M.
Published: December 2022

Background

Intradetrusor onabotulinumtoxinA injection is an effective advanced treatment for overactive bladder. While the effective dosages have been well studied, very little data exist on treatment efficacy using differing injection techniques. The objective of this study was to determine whether the efficacy of a reduced injection technique of 5 injection sites was noninferior to the standard technique of 20 injection sites of intradetrusor onabotulinumtoxinA for treatment of overactive bladder.

Methods

In this randomized noninferiority trial, men and women seeking treatment of overactive bladder with intradetrusor onabotulinumtoxinA injections were randomized to receive 100 units administered via either a reduced injection technique of 5 injection sites or a standard injection technique of 20 injection sites. Subjects completed a series of standardized questionnaires at baseline and at 4–12 weeks postprocedure to determine symptom severity and treatment efficacy. The primary outcome was treatment efficacy as determined by Overactive Bladder Questionnaire‐Short Form with a noninferiority margin of 15 points. Secondary outcomes were incidence of urinary tract infection and urinary retention requiring catheterization.

Results

Data from 77 subjects were available for analysis with 39 in the control arm (20 injections) and 38 in the study arm (5 injections). There was a significant improvement in both arms from baseline to follow‐up in Overactive Bladder Questionnaire‐Short Form and International Consultation on Incontinence Questionnaire scores (p < 0.001). Overall treatment success was 68% with no statistically significant difference between arms. A significant difference between arms was found on the Overactive Bladder Questionnaire‐Short Form quality of life survey favoring the control arm (confidence interval [CI]: 0.36–20.5, p = 0.04). However, there were no significant differences between arms in the remaining validated questionnaires. The study arm did not demonstrate noninferiority to the control arm. Subjects in the study arm were significantly more likely to express a willingness to undergo the procedure again (odds ratio = 3.8, 95% CI: 1.42–10.67, p = 0.004). Adverse events did not differ between arms.

Conclusions

A reduced injection technique for administration of intradetrusor onabotulinumtoxinA demonstrates similar efficacy to the standard injection technique but did not demonstrate noninferiority. Subjects preferred the reduced injection technique over the standard technique. A reduced injection technique is a safe and effective alternative to the standard technique.
Variable neighborhood search approach with intensified shake for monitor placement
Authors: Casado Alejandra , Mladenović Nenad , Sánchez‐Oro Jesús , Duarte Abraham
Published: December 2022

Several problems are emerging in the context of communication networks and most of them must be solved in reduced computing time since they affect to critical tasks. In this research, the monitor placement problem is tackled. This problem tries to cover the communications of an entire network by locating a monitor in specific nodes of the network, in such a way that every link remains surveyed. In case that a solution cannot be generated in the allowed computing time, a penalty will be assumed for each link uncovered. The problem is addressed by considering the variable neighborhood search framework, proposing a novel constructive method, an intelligent local search to optimize the improvement phase, and an intensified shake to guide the search to more promising solutions. The proposed algorithm is compared with a hybrid search evolutionary algorithm over a set of instances derived from real‐life networks to prove its performance.
A mesh insensitive finite element method to compute statical stability curve of floating bodies with arbitrary configurations based on a force‐oriented approach
Authors: Zhang Zhengyi , Xie De
Published: December 2022

For any floating body, statical stability curves play a critical role in its stability analysis. In this article, a force‐oriented approach, in conjunction with finite element procedure, is proposed in order to compute those curves of floating bodies with complicated hull forms. The hull surface is meshed by triangular elements. The buoyant force and restoring moments are directly computed through the load redistribution of the hydrostatic pressure over the facet of each triangular element. Computations of a statical stability curve require a series of floating conditions that lead to the change of waterline with respect to the hull surface. In order to do all computations by using a unique finite element mesh, techniques regarding nodal coordinate update and non‐matching element treatment are developed. The procedure has been established and the algorithm has been developed. Results from three examples with simple but representative geometries are compared to those by hand calculations to verify the accuracy of the approach. Then, two standard reference hull forms, a very large crude carrier (KRISO KVLCC2) and a trimaran (NPL Round Bilge 4a), have been investigated to demonstrate the validation of the approach. Results of all examples show that the proposed approach is insensitive to the mesh pattern.
Persistence of intergroup occupational disparity in India
Authors: Chaudhury Anjan R. , Sinha Madhabendra
Published: December 2022

The traditional summary measures of intergenerational mobility are symmetric, since these measures don't distinguish the directions of mobility, that is, upward and downward mobility in the respective dimension. In this study, we define two group‐specific summary measures of the relative strength of upward/downward occupational mobility, and apply these summary measures to examine the persistence of occupational disparity across Indian social groups. Major findings of this study reveal that there has been an increase in occupational mobility from the oldest to the youngest cohort across the samples of all social groups, but in this context there is an intergroup disparity. More specifically, this increase in mobility is greater for Other Backward Castes, Scheduled Castes, and Scheduled Tribes when compared to the Higher Castes. However, by taking into account the direction of newly developed group‐specific summary measures, this study reveals that occupational disparity across Indian social groups has increased overtime.
Sitobion miscanthi L type symbiont enhances the fitness and feeding behavior of the host grain aphid
Authors: Li Xinan , Sun Yulin , Tian Xujun , Wang Chao , Li Qian , Li Qiuchi , Zhu Saige , Lan Chen , Zhang Yunhui , Li Xiangrui , Ding Ruifeng , Zhu Xun
Published: December 2022

Background

Symbiotic bacteria affect physiology and ecology of insect hosts. The Sitobion miscanthi L type symbiont (SMLS) is a recently discovered and widely distributed secondary symbiont in the grain aphid Sitobion miscanthi Takahashi in China.

Results

In this study, SMLS‐infected (SI) and SMLS‐uninfected (SU) aphid strains were obtained from field population. The artificially SMLS‐re‐infected (SRI) strain was established by injecting SU aphids with the SI strain hemolymph containing SMLS. The SRI and SU strains had identical genetic backgrounds and similar microbial community structures. Compared with the SU strain, adult longevity, survival rate, and fecundity were significantly greater in the SRI strain (biological fitness of 1.48). Moreover, the SRI strain spent more time ingesting phloem than the SU strain. A comparative transcriptome analysis indicated that reproduction‐ and longevity‐related genes were more highly expressed in the SRI strain than in the SU strain.

Conclusion

The findings indicated that the infection with SMLS enhanced the Sitobion miscanthi fitness and feeding behavior. The beneficial effect of the SMLS on hosts could explain why it frequently infects the field populations in the grain aphid Sitobion miscanthi Takahashi in China. © 2022 Society of Chemical Industry.
Chemical synthesis of per‐selenocysteine human epidermal growth factor
Authors: Takei Toshiki , Tanaka Hideaki , Okumura Nobuaki , Takao Toshifumi , Moroder Luis , Hojo Hironobu
Published: December 2022

Human seleno‐epidermal growth factor (seleno‐EGF), a 53‐residue peptide where all six cysteine residues of the parent human EGF sequence were replaced by selenocysteines, was synthesized and the oxidative folding of a polypeptide containing three diselenide bonds was compared to that of the parent cysteine peptide. The crude high performance liquid chromatography (HPLC) profiles clearly showed that both the native EGF and its selenocysteine‐analogue fold smoothly, yielding a single sharp peak, proving that even in the case of three disulfide‐bonded polypeptides the disulfide‐to‐diselenide bond substitution is highly isomorphous, as confirmed by conformational circular dichroism measurements and particularly by the biological assays.
Software reliability prediction: A survey
Authors: Oveisi Shahrzad , Moeini Ali , Mirzaei Sayeh , Farsi Mohammad Ali
Published: December 2022

Softwares play an important role in controlling complex systems. Monitoring the proper functioning of the components of such systems is the principal role of softwares. Often, a petite fault in one of the subsystems may cause irreparable damages; therefore, it is of great importance to be able to predict software faults and estimate the reliability of softwares. In this survey, we present a classification of various methods proposed in the literature to predict software reliability. This study summarizes the results of more than 200 research papers in the field. We also discuss the challenges involved in prediction methods along with proposed partial solutions (i.e., Bayesian methods) to improve the accuracy of such predictions. Moreover, we review numerous evaluation measures introduced so far to assess the performance of prediction models, the datasets they are based on, and also the results they yield.
DFT study of enhancement in nonlinear optical response of exohedrally and endohedrally alkaline earth metals (Be, Mg, Ca) doped adamanzane
Authors: Rafique Amina , Maqbool Hadia , Shehzad Rao Aqil , Bhatti Ijaz Ahmad , Ayub Khurshid , Elmushyakhi Abraham , Shawky Ahmed M. , Iqbal Javed
Published: December 2022

In this study, density functional theory has been used to investigate the geometric, electronic, linear and nonlinear optical properties of exohedrally and endohedrally doped adamanzane M1(26 adz)M2 where (M1 = M2 = Be, Mg and Ca). The multiple doping rendered excess electrons to the system which resulted in increased HOMO energies and resultantly reduced HOMO‐LUMO gap (from 8.85 eV to 4.87 eV). The significant changes in excitation energy and vertical ionization energy indicated the introduction of excess electrons to the system. The NBO analysis confirmed that both the dopants are electron donating moieties. The formation of new HOMOs were also evident from the density of state (DOS) analysis. The new complexes exhibited remarkable nonlinear optical response and maximum first hyperpolarizability (β = 8.19 × 103 au) and second hyperpolarizability (γ = 8.12 × 105 au) were observed for AM9. This nonlinear response enhanced significantly when materials were placed in the light of 1907 nm wavelength for determination of dynamic hyperpolarizabilities. The UV–Vis analysis confirmed the transparency of designed materials in deep UV region. The structural properties of new materials were also authenticated by IR‐spectra. The exceptionally high nonlinear response makes these materials desirable candidates for photonic, telecommunication and laser applications.
Precise pose estimation of the NASA Mars 2020 Perseverance rover through a stereo‐vision‐based approach
Authors: Andolfo Simone , Petricca Flavio , Genova Antonio
Published: December 2022

Visual Odometry (VO) is a fundamental technique to enhance the navigation capabilities of planetary exploration rovers. By processing the images acquired during the motion, VO methods provide estimates of the relative position and attitude between navigation steps with the detection and tracking of two‐dimensional (2D) image keypoints. This method allows one to mitigate trajectory inconsistencies associated with slippage conditions resulting from dead‐reckoning techniques. We present here an independent analysis of the high‐resolution stereo images of the NASA Mars 2020 Perseverance rover to retrieve its accurate localization on sols 65, 66, 72, and 120. The stereo pairs are processed by using a 3D‐to‐3D stereo‐VO approach that is based on consolidated techniques and accounts for the main nonlinear optical effects characterizing real cameras. The algorithm is first validated through the analysis of rectified stereo images acquired by the NASA Mars Exploration Rover Opportunity, and then applied to the determination of Perseverance's path. The results suggest that our reconstructed path is consistent with the telemetered trajectory, which was directly retrieved onboard the rover's system. The estimated pose is in full agreement with the archived rover's position and attitude after short navigation steps. Significant differences (~10–30 cm) between our reconstructed and telemetered trajectories are observed when Perseverance traveled distances larger than 1 m between the acquisition of stereo pairs.
Using camera traps to monitor cyclic vole populations
Authors: Kleiven Eivind Flittie , Nicolau Pedro Guilherme , Sørbye Sigrunn Holbek , Aars Jon , Yoccoz Nigel Gilles , Ims Rolf Anker
Published: December 2022

Camera traps have become popular labor‐efficient and non‐invasive tools to study animal populations. The use of camera trap methods has largely focused on large animals and/or animals with identifiable features, with less attention being paid to small mammals, including rodents. Here we investigate the suitability of camera‐trap‐based abundance indices to monitor population dynamics in two species of voles with key functions in boreal and Arctic ecosystems, known for their high‐amplitude population cycles. The targeted species—gray‐sided vole (Myodes rufocanus) and tundra vole (Microtus oeconomus)—differ with respect to habitat use and spatial‐social organization, which allow us to assess whether such species traits influence the accuracy of the abundance indices. For both species, multiple live‐trapping grids yielding capture‐mark‐recapture (CMR) abundance estimates were matched with single tunnel‐based camera traps (CT) continuously recording passing animals. The sampling encompassed 3 years with contrasting abundances and phases of the population cycles. We used linear regressions to calibrate CT indices, based on species‐specific photo counts over different time windows, as a function of CMR‐abundance estimates. We then performed inverse regression to predict CMR abundances from CT indices and assess prediction accuracy. We found that CT indices (for windows maximizing goodness‐of‐fit of the calibration models) predicted adequately the CMR‐based estimates for the gray‐sided vole, but performed poorly for the tundra vole. However, spatially aggregating CT indices over nearby camera traps enabled reliable abundance indices also for the tundra vole. Such species differences imply that the design of camera trap studies of rodent population dynamics should be adapted to the species in focus, and adequate spatial replication must be considered. Overall, tunnel‐based camera traps yield much more temporally resolved abundance metrics than alternative methods, with a large potential for revealing new aspects of the multi‐annual population cycles of voles and other small mammal species they interact with.
Variable selection for discrete survival model with frailty in presence of left truncation and right censoring: Studying association of environmental toxicants on time‐to‐pregnancy
Authors: Saha Abhisek , Sundaram Rajeshwari
Published: December 2022

Understanding the association between mixtures of environmental toxicants and time‐to‐pregnancy (TTP) is an important scientific question as sufficient evidence has emerged about the impact of individual toxicants on reproductive health and that individuals are exposed to a whole host of toxicants rather than an individual toxicant. Assessing mixtures of chemical effects on TTP poses significant statistical challenges, namely (i) TTP being a discrete survival outcome, typically subject to left truncation and right censoring, (ii) chemical exposures being strongly correlated, (iii) appropriate transformation to account for some lipid‐binding chemicals, (iv) non‐linear effects of some chemicals, and (v) high percentage of concentration below the limit of detection (LOD) for some chemicals. We propose a discrete frailty modeling framework (named Discnet) that allows selection of correlated covariates while appropriately addressing the methodological issues mentioned above. Discnet is shown to have better and stable false negative and false positive rates compared to alternative methods in various simulation settings. We did a detailed analysis of the pre‐conception endocrine disrupting chemicals and TTP from the LIFE study and found that older females, female exposure to cotinine (smoking), DDT conferred a delay in getting pregnant, which was consistent across various approaches to account for LOD as well as non‐linear associations.
Tuning of Photoluminescence of Graphene Oxide Based Nanomaterials in the UV‐Visible Region: Formation of Aggregates by H‐Bonding through Water Molecules
Authors: Pyne Dinesh Kumar , Chatterjee Shovon , Pramanik Soumalya , Saha Prosenjit , Biswas Tuyan , Bali Somnath , Dutta Partha , Halder Arnab
Published: December 2022

To investigate the interaction among the graphene oxide layers by involving surface functional groups, photoluminescence (PL) from graphene oxide (GO), and hydroxyl enriched graphene oxide (OH‐GO) in the UV‐visible region are studied. Tuning of PL is observed by varying the concentration of aqueous dispersion of OH‐GO, obtained by strong alkaline treatment on graphene oxide (GO). FTIR, Raman, XRD, and the microscopic study suggests the structural orderness of the OH‐GO compared to GO. Hydroxyl functional groups at the surface of OH‐GO facilitate the formation of aggregates through hydrogen bonds by involving solvent water molecules and the PL band in the visible region may be originated from such aggregates. With the increase in the concentration of OH‐GO in the aqueous medium, the contribution of the visible PL band is markedly increased along with the decrease in the PL band in the UV region. The time‐resolved study indicates the possibility of energy transfer from the species emitting in the UV region to the species emitting in the visible region. This energy transfer may be responsible for the marked enhancement of the visible band of the PL spectra of OH‐GO at high concentrations.
Catalyst‐ and Solvent‐Free Hydrophosphorylation of Aldimines with Secondary Phosphine Chalcogenides: Synthesis of Tertiary α‐Aminophosphine Oxides, Sulfides and Selenides
Authors: Arbuzova Svetlana N. , Verkhoturova Svetlana I. , Zinchenko Sergey V. , Kolyvanov Nikita A. , Chernysheva Nataliya A. , Bishimbaeva Gaukhar K. , Trofimov Boris A.
Published: December 2022

Secondary phosphine chalcogenides mildly (no catalysts and solvents, 20–65 °C, 0.25–65.5 h) react with aldimines to deliver the hitherto unknown α‐aminophosphine oxides, sulfides and selenides in good to excellent yields.
Microwave‐Induced Synthesis of Pyridine Based Schiff Bases and Their Applications as Efficient Antimicrobial Textile Dyeing Agents: Experimental and Theoretical Approach
Authors: Sharma Sanyog , Dubey Gurudutt , Singh Sran Balkaran , Sharma Mansi , Kaur Varinder , Kaur Sukhraj , Bharatam Prasad V. , Hundal Geeta
Published: December 2022

Three new pyridine‐based Schiff basesP‐2IMBT((Z)‐2‐(((pyridin‐2‐ylmethyl)imino)methyl)benzene‐1,3,5‐triol),P‐3IMBT(Z)‐2‐(((pyridin‐3‐ylmethyl)imino)methyl)benzene‐1,3,5‐triol, andP‐4IMBT2‐(((pyridin‐4‐ylmethyl)imino)methyl)benzene‐1,3,5‐triol were investigated to see if they could be employed as antimicrobial textile synthetic dyes. Adding the pyridine nucleus to these compounds improves their textile colour and therapeutic potential. Microwave‐assisted synthesis was used to synthesize these molecules, which is highly efficient, safe, cost‐effective, and ecologically benign. NMR, IR, Mass, PXRD, UV‐Vis, DFT calculations, Fluorescence, and thermogravimetric methods were used to describe all of the compounds. In experiments on wool and silk, these positional isomers,P‐2IMBT,P‐3IMBT, andP‐4IMBT, were found to be washable and offered a rich brown hue with good tonal variation. Cotton had to be pre mordanted, and this is likely a one‐of‐a‐kind cotton mordant dye. Further antimicrobial studies suggest that these compounds could be effective antibacterial agents.
Design and Synthesis of New Agents for Prostate Cancer Treatment Inspired by Steroidal CYP17 A1 Inhibitors
Authors: Zolottsev Vladimir A. , Latysheva Alexandra S. , Khan Irina I. , Pokrovsky Vadim S. , Misharin Alexander Y.
Published: December 2022

Steroid derivatives modified with nitrogen containing heterocycles attract attention as anticancer agents for prostate cancer treatment. In this study we have developed a simple and convenient procedure for preparation of 17(20)‐21‐norpregnene and androst‐16‐ene 2’‐oxazolinyl and 2’‐benzoxazolyl derivatives, based on the reaction of an appropriately modified steroidal carboxylic acid with 1,2‐amino alcohols or o‐aminophenol. Using this method we conducted synthesis a series of new steroid hybrids differing either in the structure of steroidal part, or in the structure of nitrogen containing heterocycle (23 compounds in total). Some of compounds revealed high anti‐proliferative activity in prostate carcinoma LNCaP and PC‐3 cells, exceeding that for well‐known agents abiraterone and galeterone. Oxazoline containing derivative of [17(20)]‐21‐norpregnene potently stimulated apoptosis in DU‐145 cells and inhibited the growth of tumors in DU‐145 and 22Rv1 derived xenograft models in direct comparison with abiraterone.
Adsorptive Remediation of Hazardous Crystal Violet Dye using Ni1‐xZnxFe2O4 Magnetic Nanocomposites
Authors: Said Abd El‐Aziz A. , Abu‐Sehly Abdel‐Hamid A. , Mahmoud Amera Z. , Ahmed Haiam , Goda Mohamed N.
Published: December 2022

Crystal violet (CV) dye is one of the most poisonous colors primarily produced in the textile industry. In the current study, the co‐precipitation assisted ultrasonic radiation method was used to synthesized Ni1‐xZnxFe2O4 magnetic nanoparticles for the CV dye removal from aqueous solutions. The adsorbents were characterized by vibrating specimen magnetometer (VSM), X‐ray diffraction (XRD), High resolution transmission electron microscope (HRTEM), X‐ray photoelectron spectroscopy (XPS), Fourier transform infrared (FTIR), and nitrogen sorption analysis. XRD confirmed the successful synthesis of Ni1‐xZnxFe2O4 single phase with a characteristic diffraction (311) peak at 2θ=35.5°. XPS analysis proved the successful substitution of Ni2+ by Zn2+ ions in the spinel structure. N2 sorption revealed that, the prepared adsorbent exhibited a mesoporous structure of slit shaped and narrow entrances, especially at high annealing temperatures. Results revealed that the magnetic Ni0.1Zn0.9Fe2O4 nano adsorbent offered a maximum adsorption capacity of 473.9 mg g−1 at pH 10.0, which is significantly greater than that of the other noted for CV removal. In addition, ferromagnetic nature was observed by Ni0.5Zn0.5Fe2O4 with a saturation magnetization value of 60.1 emg/g. Equilibrium and kinetic studies demonstrated that, the adsorption is of chemical nature and controlled with pore and film diffusion. Finally, we concluded that Ni1‐xZnxFe2O4 can be utilized as a potential magnetic composite for the purification of CV contaminated water.
Dramatic Size‐dependence of Rhn+ Clusters in Reacting with Small Hydrocarbons: Rh3+ Cluster Catalysis for Dehydrogenation
Authors: Jia Yuhan , Geng Lijun , Zhang Hanyu , Luo Zhixun
Published: December 2022

We report a joint experimental and theoretical study of the gas‐phase reactions between rhodium clusters Rhn+ (n=1–24) and small hydrocarbons. It is found that most Rhn+ clusters react with CH4 to form absorption products Rhn(CH4)1,2+ but Rh3+ reacts to form carbide indicative of complete dehydrogenation; Rh2+ reacts with CH4 to form partial dehydrogenation products Rh2CH2+ and Rh2C2H6+. The distinctive reactivity of Rh3+ is also found for the reactions with C2H2, C2H4 and C2H6, where the complete dehydrogenation product Rh3C2+ is also formed. Analysis of reaction kinetics demonstrates that the cooperation of three Rh atoms plays a key role in the dehydrogenation reaction. Notably, Rh3+ bears a large HOMO‐LUMO gap and reasonable stablity, and the roughly equal contribution of electrostatic and orbital interactions provide advantages to form two symmetric Rh−H−C hydrogen bridge bonds which promote the synergic cluster catalysis for hydrogen atom transfer and C−H bond dissociation. The efficient dehydrogenation mediated by an Rh3+ cluster opens a window to design new catalysts for C−H activation.
Facile Synthesis of Regenerative Framework Adsorbent for Organic Dyes: Experimental and Artificial Neural Modeling Studies
Authors: Jyoti Bora Hridoy , Paul Chayan , Sen Sarma Neelotpal , Kalita Anamika
Published: December 2022

The primary challenge in the design and synthesis of materials having higher affinity, rapid uptake, and superior adsorption capacity is to achieve the balance between performance and economy for real‐world application. The present study unfolded the synthesis of a regenerative framework adsorbent employing greener condition, that shows excellent performance with an ultrahigh adsorption capacity and 99 % removal efficiency for a range of water polluting contaminants, i. e., organic dyes of industrial importance. A pseudo‐second‐order kinetics model shows a favorable fit for the adsorption process. The maximum adsorption capacity calculated by the Langmuir isotherm was found to be highest among many reports in the minimum concentration range, which directly indicates its outstanding efficiency even at lower contaminant concentration. The framework has good reusability and remarkable adsorption performance after being used for several repeated cycles. Consequently, the adsorption behavior of real effluent sample is also investigated using the current system. Additionally, artificial intelligence based on artificial neural network modeling has been executed successfully to estimate and model process parameters of dye removal by adsorption technique which results in mutual correlation between lab‐based techniques and neural based modeling for solving environmental concerns.
NH4Br‐Promoted Single‐Step and Transition‐Metal‐Free Conversion of Aldehydes to Nitriles in Ammonia Water
Authors: Wang Jin , Yang Xiao‐Qin , Li Na , Wang Li.‐Li
Published: December 2022

A green and general method for the direct transformation of aldehydes to nitriles was developed. This method features a broad scope of substrates including aromatic, heterocyclic, and aliphatic aldehydes, by using I2/NH4Br in aqueous ammonia. Readily available aldehydes can be smoothly converted to corresponding nitriles in one‐step under open air at room temperature for 1–12 hours. This protocol is transition‐metal‐free and could be applied for the synthesis of various key cyano (CN)‐containing molecules.
A Facile Highly Selective Anti‐Markovnikov Hydroamination of Vinyl Pyridines by Free Radical Oxidation
Authors: Du Yue‐Yue , Jiang Bo , Han Guo‐Zhi
Published: December 2022

In this paper, we report a new and facile protocol for anti‐Markovnikov hydroamination of vinyl pyridines under mild condition. In the presence of organic peroxide, pyridylethylation of a wide variety of aryl/alkyl amines with different substituent and electronic characteristics by intermolecular anti‐Markovnikov hydroamination was successfully carried out. Furthermore, moderate to excellent yields were obtained along with high selectivity through condition optimization. The highest yield of target product can reach 93 % in gram‐scale reaction. On the basis, we proposed a kind of aza‐Michael‐type free radical addition mechanism, which was well supported by deuterium labeling studies and reference experiments.
Thermodynamic Evaluation on Alkoxyamines of TEMPO Derivatives, Stable Alkoxyamines or Potential Radical Donors?
Authors: Qian Bao‐Chen , Zhang Lu , Zhang Gao‐Shuai , Fu Yan‐Hua , Zhu Xiao‐Qing , Shen Guang‐Bin
Published: December 2022

In this work, the bond dissociation energy (BDE) values, including BDE(O−X) and BDE(N−O), for 129 alkoxyamines (XRT) of TEMPO derivatives were predicted, and the evaluations on stabilities of alkoxyamines, reactivities of alkoxyamines as radical donors and reactivity of TEMPO as various radical scavenger are well compared and discussed based on the predicted BDE values from the view of thermodynamic driving forces. Without a doubt, the wide and valuable BDE values are helpful for chemists better understand the thermodynamic properties and kinetic behaviors of alkoxyamines and TEMPO in chemical reactions and drug metabolism in vivo and promoting the rapid development and application of novel alkoxyamines.
Construction and Functionalization of a Clathrin Assembly for a Targeted Protein Delivery
Authors: Kim Hong‐Sik , Bae Jin‐Ho , Kim Gijeong , Song Ji‐Joon , Kim Hak‐Sung
Published: December 2022

Protein assemblies have drawn much attention as platforms for biomedical applications, including gene/drug delivery and vaccine, due to biocompatibility and functional diversity. Here, the construction and functionalization of a protein assembly composed of human clathrin heavy chain and light chain for a targeted protein delivery, is presented. The clathrin heavy and light chains are redesigned and associated with each other, and the resulting triskelion unit further self‐assembled into a clathrin assembly with the size of about 28 nm in diameter. The clathrin assembly is dual‐functionalized with a protein cargo and a targeting moiety using two different orthogonal protein–ligand pairs through one‐pot reaction. The functionalized clathrin assembly exhibits about a 900‐fold decreased KD value for a cell‐surface target due to avidity compared to a native targeting moiety. The utility of the clathrin assembly is demonstrated by an efficient delivery of a protein cargo into tumor cells in a target‐specific manner, resulting in a strong cytotoxic effect. The present approach can be used in the creation of protein assemblies with multimodality.
Multi‐objective materialized view selection using flamingo search optimization algorithm
Authors: Srinivasarao Popuri , Satish Aravapalli Rama
Published: December 2022

A materialized view selection in data warehouse management is important to speed up query processing. The data presented in data warehouses is generally stored as a set of materialized views. The major challenge is determining which views to materialize and satisfy the response time with reduced cost functions. This paper proposed an effective multi objective cost model based flamingo search algorithm for materialized view selection in data warehouse design. The multiple view processing plan structure of the data warehouse describes the search space of problem in order to select the optimal materialized views. The proposed model evaluates a multi‐objective optimization problem based on the cost functions resulting from materialization. The multiple objective functions of the proposed model are maintenance costs, current query processing costs, response cost and previous query processing costs. This model selects the top‐k views for materialization by satisfying the mentioned multi‐objective functions. The experimental results are simulated using the TPC‐H dataset. The efficacy of proposed model is measured by comparing the obtained results of the proposed model with various existing approaches.
Reindeer health and welfare
Authors: Foster Aiden , Wight Alan
Published: December 2022

This focus article has been prepared by Aiden Foster of the University of Bristol (which offers postmortem examination services as part of the APHA surveillance network) and Alan Wight, veterinary lead of the APHA Miscellaneous and Exotic Farmed Species Expert Group.
Svend Erik Kold
Authors: Greet Tim , Dyson Sue
Published: December 2022

An equine vet with a passion for flat racing, he was a senior veterinary surgeon at a number of racecourses, including Ascot. As an RCVS Specialist in equine orthopaedics, he also lectured widely.
Lobbying for animal welfare
Authors: Ramsay Alison
Published: December 2022

Alison Ramsay, BVA head of policy and public affairs, reports on our recent activities in Westminster.
Going for green
Authors: Moore Alice
Published: December 2022

Alice Moore, chair of BVA Policy Committee, celebrates veterinary success at a recent awards ceremony.
A vet's role in the community
Authors: Knowles‐Bacon Megan
Published: December 2022

BVA Welsh Branch recently hosted a CPD and social event at Aberystwyth vet school, reports Megan Knowles‐Bacon, BVA policy and public affairs officer.
A Clinician’s Guide to Performance Outcome Measurements
Authors: Mayhew Anna G.
Published: December 2022

The role of the clinical evaluator in delivering measurements of motor performance is a key one. Good assessment enables effective management and in the trial setting enables partners to be confident in the reliability of their motor endpoints as a true reflection of the compound’s efficacy. Here we explore how Rasch analysis enhances more traditional evaluations of reliability and validity in the evaluation of performance using practical examples to explain why and discuss the importance of the role of clinicians in the interpretation and decision-making process when using Rasch analysis. The North Star Ambulatory Assessment designed for use in ambulant Duchenne muscular dystrophy illustrates the role of these methods. The role of the clinician is to ensure that wherever we assess a patient—in clinic, at home or via video link—the measured value and clinical meaning can be understood and potentially equated in relationship to other similar scales conducted in an alternative forum. Our ability to interact with and be aware of the individual at the heart of all these assessments means we are uniquely placed to ensure best care is given.
Advancing the Metrological Agenda in the Social Sciences
Authors: Linacre John Michael
Published: December 2022

For over 100 years social scientists have been measuring their subjects on scales regarded as linear. An early example is “The Thorndike Scale for Handwriting of Children” (Thorndike EL. The Thorndike Scale for Handwriting of Children. Bureau of Publications – Teachers College, Columbia University, New York, (1912)), where it is said that “The unit of the scale equals approximately one-tenth of the difference between the best and worst of the formal writings of 1000 children in Grades 5–8.” Though the construction of linear scales in social science has become more rigorous, an early feature continues. Each measurement scale represents a unique perspective on the target variable. Measurement scales for the same or similar target variables are rarely connected. This chapter describes how measurement units for similar scales can be aligned so that measures become independent of the specifics of the situation on which they are based.
Equating Measuring Instruments in the Social Sciences: Applying Measurement Principles of the Natural Sciences
Authors: Andrich David , Surla Dragana
Published: December 2022

The concept of measurement in which the magnitude of a property is quantified in a common unit relative to a specified origin is a deep abstraction. This chapter shows the application of measurement in a social science context where the motivation is transparency and equity rather than the advancement of scientific laws. However, to achieve these, the realization of measurement needs to be no less rigorous than it is in the advancement of scientific laws. Rasch measurement theory provides the basis for such rigor. The context in this chapter is competitive selection into universities in Western Australia based on a summary performance on a series of instruments which assess achievement in a range of discipline areas. Such selection tends to determine life opportunities; therefore to ensure consistency and fairness, performances on different instruments need to be transformed into measurements which are in the same, explicit unit relative to a specified origin. Because the illustrative context is complex, it is considered that the Rasch measurement theory applied in this chapter could be applied to a range of social contexts where assessments on different instruments need to be transformed to measurements in a common unit referenced to a common origin and where the focus is on making decisions at the person level.
Crafting the Methods to Test Hypotheses
Authors: Hiebert James , Cai Jinfa , Hwang Stephen , Morris Anne K , Hohensee Charles
Published: December 2022

If you have carefully worked through the ideas in the previous chapters, the many questions researchers often ask about what methods to use boil down to one central question: How can I best test my hypotheses? The answers to questions such as “Should I do an ethnography or an experiment?” and “Should I use qualitative data or quantitative data?” are quite clear if you make explicit predictions for what you will find and fully develop rationales for why you made these predictions. Then you need only worry about how to find out in what ways your predictions are right in what ways they are wrong. There is a lot to know about different research designs and methods because these provide the tools you can use to test your hypotheses. But as you learn these details, keep in mind they are means to an end, not an end in themselves.
The Drama of Expertise About Bipolar Disorder Online
Authors: Egher Claudia
Published: December 2022

This chapter describes how expertise about bipolar disorder is performed byThe National Institute of Mental HealthandLa Haute Autorité de Santé. Using an innovative methodological approach which combines insights from Latour (Science in Action. How to Follow Scientists and Engineers Through Society, Cambridge, MA, Harvard University Press, 1987) and media studies with a dramaturgical perspective (Goffman,The Presentation of Self in Everyday Life, London, Penguin, 1959/1990), it is argued that both institutions perform expertise in a conservative fashion, which allows them to articulate knowledge on bipolar disorder as stable and precise. While both institutions use similar performative techniques, they adapt them to subtly redefine bipolar disorder in ways that are aligned to the priorities characterizing their national health system and their institutional prerogatives and goals.