bluuebunny/crossref_metadata_2025 huggingface dataset:
Clinical feasibility of endoscopic ultrasound‐guided biliary drainage for preoperative management of malignant biliary obstruction (with videos)
Authors: Mukai Shuntaro , Itoi Takao , Tsuchiya Takayoshi , Ishii Kentaro , Tonozuka Ryosuke , Nagakawa Yuichi , Kozono Shingo , Takishita Chie , Osakabe Hiroaki , Sofuni Atsushi
Published: December 2022

Background/Purpose

EUS‐guided biliary drainage (EUS‐BD) has recently been reported to be a useful salvage technique after ERCP fail. However, data on EUS‐BD used for preoperative biliary drainage (PBD) are limited. The aim of this study was to verify the clinical feasibility of EUS‐BD for PBD.

Methods

PBD was performed for malignant biliary obstruction in 318 patients at our institution between July 2014 and April 2022. Fifteen (4.7%) of these patients underwent surgical resection after preoperative EUS‐BD (HGS 13; HDS 1; AGS with HGS 1) and were retrospectively analyzed.

Results

The stent was successfully placed in all 15 cases with a median procedure time of 15 min (technical success rate 100%). The median total bilirubin value decreased significantly from 3.7 before drainage to 0.9 after surgery (p < .001) and cholangitis was well managed (clinical success rate 100%). Surgery was performed at a median of 22 days after drainage, and there were no stent‐related adverse events or recurrences of biliary obstruction. Severe surgery‐related adverse events occurred in three cases, but none were associated with EUS‐BD. The stent was removed during surgery in 12 cases.

Conclusions

EUS‐BD can be a feasible and safe alternative method of PBD for malignant biliary obstruction after ERCP fail.
Omicron‐specific mRNA vaccine induced cross‐protective immunity against ancestral SARS‐CoV‐2 infection with low neutralizing antibodies
Authors: Shen Kuan‐Yin , Yang Chung‐Hsiang , Chen Chiung‐Tong , Ho Hui‐Min , Chiu Fang‐Feng , Huang Chiung‐Yi , Liao Hung‐Chun , Hsu Chia‐Wei , Yu Guann‐Yi , Liao Ching‐Len , Chen Hsin‐Wei , Huang Ming‐Hsi , Liu Shih‐Jen
Published: December 2022

The major challenge in COVID‐19 vaccine effectiveness is immune escape by SARS‐CoV‐2 variants. To overcome this, an Omicron‐specific messenger RNA (mRNA) vaccine was designed. The extracellular domain of the spike of the Omicron variant was fused with a modified GCN4 trimerization domain with low immunogenicity (TSomi). After immunization with TSomi mRNA in hamsters, animals were challenged with SARS‐CoV‐2 virus. The raised nonneutralizing antibodies or cytokine secretion responses can recognize both Wuhan S and Omicron S. However, the raised antibodies neutralized SARS‐CoV‐2 Omicron virus infection but failed to generate Wuhan virus neutralizing antibodies. Surprisingly, TSomi mRNA immunization protected animals from Wuhan virus challenge. These data indicated that non‐neutralizing antibodies or cellular immunity may play a more important role in vaccine‐induced protection than previously believed. Next‐generation COVID‐19 vaccines using the Omicron S antigen may provide sufficient protection against ancestral or current SARS‐CoV‐2 variants.
High‐pressure‐induced phase transition and amorphization of xylitol by Raman spectroscopy
Authors: Zhang Shengya , Fang Wenhui , Li Fengjiao , Zhao Bo , Men Zhiwei
Published: December 2022

Creating high‐pressure environments is an indispensable method to explore structural change, stability, and the upper limits for the application of xylitol under extreme conditions. Herein, we report a detailed description of the vibrations and phase transition of xylitol under high pressures by Raman spectroscopy. We found a novel phase transition of xylitol under 8.07 GPa by changing the O–H and CH2 vibrations. As the pressure further increased, xylitol underwent an amorphous transformation at 16.94 GPa. This study opens a new research perspective for polyols and expands the application of xylitol under extreme conditions.
Synthesis and characterization of supermacroporous cryogel with immobilized p‐aminobenzenesulfonamide as affinity ligand for the purification of lactoperoxidase from whey
Authors: Maciel Kátia Silva , Mól Paula Chequer Gouveia , Verissimo Lizzy Ayra Alcântara , Minim Valeria Paula Rodrigues , Minim Luis Antonio
Published: December 2022

This study proposed the development of a monolithic supermacroporous affinity column for direct capture of lactoperoxidase, a glycoprotein present in milk, whey, and colostrum, with several applications due to its wide antimicrobial activity. A poly(acrylamide)‐based cryogel was produced by radical co‐polymerization of monomers in frozen aqueous solution and activated with p‐aminobenzenesulfonamide as a ligand for specific interaction with the lactoperoxidase. The axial liquid dispersion coefficients at different liquid flow rates were determined by measuring residence time distributions using the tracer pulse‐response method. The axial dispersion coefficient was low and the height equivalent to theoretical plate was not dependent on the flow velocity. The adsorptive capacity of affinity cryogel was studied as a function of flow velocity and the best condition was 0.9 cm/min. The response surface methodology was applied to optimize the capture of the enzyme, as a function of pH and salt concentration. Higher purification factor value was found at a salt concentration of 80 mmol/L and pH of 8.0 (p < 0.05). There was no influence of the variables under study on the yield (p > 0.05). The results indicated that affinity cryogel is a promising chromatography support for the use in high‐throughput one‐step purification of lactoperoxidase from whey.
Sonographic Assessment of Acute Versus Chronic Cholecystitis
Authors: Navarro Shannon M. , Chen Shuai , Situ Xiaolu , Corwin Michael T. , Loehfelm Thomas , Fananapazir Ghaneh
Published: December 2022

Objectives

What sonographic variables are most predictive for acute cholecystitis? What variables differentiate acute and chronic cholecystitis?

Methods

The surgical pathology database was reviewed to identify adult patients who underwent cholecystectomy for cholecystitis and had a preceding ultrasound of the right upper quadrant within 7 days. A total of 236 patients were included in the study. A comprehensive imaging review was performed to assess for gallstones, gallbladder wall thickening, gallbladder distension, pericholecystic fluid, gallstone mobility, the sonographic Murphy's sign, mural hyperemia, and the common hepatic artery peak systolic velocity.

Results

Of 236 patients with a cholecystectomy, 119 had acute cholecystitis and 117 had chronic cholecystitis on surgical pathology. Statistical models were created for prediction. The simple model consists of three sonographic variables and has a sensitivity of 60% and specificity of 83% in predicting acute versus chronic cholecystitis. The most predictive variables for acute cholecystitis were elevated common hepatic artery peak systolic velocity, gallbladder distension, and gallbladder mural abnormalities. If a patient had all three of these findings on their preoperative ultrasound, the patient had a 96% chance of having acute cholecystitis. Two of these variables gave a 73–93% chance of having acute cholecystitis. One of the three variables gave a 40–76% chance of having acute cholecystitis. If the patient had 0 of 3 of the predictor variables, there was a 29% chance of having acute cholecystitis.

Conclusions

Gallbladder distension, gallbladder mural abnormalities, and elevated common hepatic artery peak systolic velocity are the most important sonographic variables in predicting acute versus chronic cholecystitis.
Hearing‐related quality of life in children and adolescents in rural Alaska
Authors: Hicks Kelli L. , Robler Samantha Kleindienst , Simmons Ryan A. , Ross Alexandra , Egger Joseph R. , Emmett Susan D.
Published: December 2022

Objective

This study evaluated the Hearing Environments and Reflection on Quality of Life (HEAR‐QL) questionnaire in rural Alaska, including an addendum crafted through community feedback to reflect the local context. The objectives were to assess whether HEAR‐QL score was inversely correlated with hearing loss and middle ear disease in an Alaska Native population.

Methods

The HEAR‐QL questionnaires for children and adolescents were administered as part of a cluster randomized trial in rural Alaska from 2017 to 2019. Enrolled students completed an audiometric evaluation and HEAR‐QL questionnaire on the same day. A cross‐sectional evaluation of questionnaire data was utilized.

Results

A total of 733 children (ages 7–12 years) and 440 adolescents (ages ≥13 years) completed the questionnaire. Median HEAR‐QL scores were similar among children with and without hearing loss (Kruskal–Wallis, p = .39); however, adolescent HEAR‐QL scores significantly decreased with increasing hearing loss (p < .001). Median HEAR‐QL scores were significantly lower in both children (p = .02) and adolescents (p < .001) with middle ear disease compared with those without. In both children and adolescents, the addendum scores were strongly correlated with total HEAR‐QL score (ρSpearman = 0.72 and 0.69, respectively).

Conclusions

The expected negative association between hearing loss and HEAR‐QL score was observed in adolescents. However, there was significant variability that could not be explained by hearing loss, and further investigation is warranted. The expected negative association was not observed in children. HEAR‐QL scores were associated with middle ear disease in both children and adolescents, making it potentially valuable in populations where the prevalence of ear infections is high.

Level of Evidence

Level 2

Clinicaltrials.gov registration numbers: NCT03309553
Zooplankton‐derived dissolved organic matter composition and its bioavailability to natural prokaryotic communities
Authors: De Corte Daniele , Varela Marta M. , Louro Angeles M. , Bercovici Sarah K. , Valencia‐Vila Joaquín , Sintes Eva , Baltar Federico , Rodríguez‐Ramos Tamara , Simon Meinhard , Bode Antonio , Dittmar Thorsten , Niggemann Jutta
Published: December 2022

Zooplankton grazing onphytoplankton promotes the release of particulate and dissolved organic matter (DOM) into the water column and therefore plays a key role in organic matter cycling in aquatic systems. Prokaryotes are the main DOM consumers in the ocean by actively remineralizing and transforming it, contributing to its molecular diversification. To explore the molecular composition of zooplankton‐derived DOM and its bioavailability to natural prokaryotic communities, the DOM generated by a mixed zooplankton community in the coastal Atlantic off Spain was used as substrate for a natural prokaryotic community and monitored over a ~ 5‐d incubation experiment. The molecular composition of solid‐phase extracted DOM was characterized via Fourier‐transform ion cyclotron resonance mass spectrometry. After ~ 4 d in the zooplankton‐derived DOM amended incubation, the prokaryotic community demonstrated a 17‐fold exponential increase in cell number. The prokaryotic growth resulted in a reduction in bulk dissolved organic carbon concentration and the zooplankton‐derived DOM was considerably transformed at molecular and bulk elemental levels over the incubation period. The C : N ratio (calculated from the obtained molecular formulae) increased while the functional diversity decreased over the incubation time. In addition, molecular indices pointed to a reduced bioavailability of DOM at the end of the experiment. These findings show that zooplankton excreta are a source of labile organic matter that is quickly metabolized by the prokaryotic community. Therefore, a fraction of carbon is shunted from transfer to secondary consumers similarly to the viral shunt, suggesting that the zooplankton–prokaryotic interactions play an important role in the ocean's carbon cycle.
A yeast‐based tool for screening mammalian diacylglycerol acyltransferase inhibitors
Authors: Gajdoš Peter , Ledesma‐Amaro Rodrigo , Nicaud Jean‐Marc , Rossignol Tristan
Published: December 2022

Dysregulation of lipid metabolism is associated with obesity and metabolic diseases but there is also increasing evidence of a relationship between lipid body excess and cancer. Lipid body synthesis requires diacylglycerol acyltransferases (DGATs) which catalyze the last step of triacylglycerol synthesis from diacylglycerol and acyl‐coenzyme A. The DGATs and in particular DGAT2, are therefore considered potential therapeutic targets for the control of these pathologies. Here, the murine and the human DGAT2 were overexpressed in the oleaginous yeast Yarrowia lipolytica deleted for all DGAT activities, to evaluate the functionality of the enzymes in this heterologous host and DGAT activity inhibitors. This work provides evidence that mammalian DGATs expressed in Y. lipolytica are a useful tool for screening chemical libraries to identify potential inhibitors or activators of these enzymes of therapeutic interest.
Is the government support programme for nurturing entrepreneurial universities effective? Evidence from Korea
Authors: Yoon Sangpil , Son Hosung
Published: December 2022

This study analyses the effects of the ‘Fostering Leading Universities for Start‐ups’ (FLUS) project, which is one of the Korean government's support programmes for nurturing entrepreneurial universities. This study uses the difference‐in‐differences (DID) methodology based on the fixed‐effects model and the random‐effects model with panel data. The results show that the net effects of the FLUS project were not directly significant on the universities' entrepreneurial culture. However, they positively contributed to the universities' entrepreneurial activities and performance concerning sales and job creation through start‐ups. Thus, this study could provide implications for establishing university start‐up policies in countries.
Branch‐price‐and‐cut for the truck–drone routing problem with time windows
Authors: Li Hongqi , Wang Feilong
Published: December 2022

Considering the important realistic benefits of drones combined with trucks for last‐mile parcel deliveries, we define the truck–drone routing problem with time windows (TDRP‐TW). The TDRP‐TW has the characteristics of time windows, synchronization en route, direct delivery, multiple trucks, and multiple drones carried by each truck. Customers covered by truck routes can be used as drone launch/retrieval locations, which are called satellites in this study. The synchronization en route enables drones to launch from trucks to return to paired trucks at nodes other than departure sites if necessary. We present an effective branch‐price‐and‐cut algorithm, in which a concept named candidate forward‐satellite (CFS) is introduced to manage the labeling challenge caused by the synchronization en route. In addition, the branch‐price‐and‐cut algorithm is combined with an adaptive large neighborhood search to obtain approximation solutions for large‐scale instances. In the computational experiments, instances with up to 50 customers are solved to optimality, and approximation solutions of large‐scale instances with 100 customers are presented.
Sparse Bayesian learning for complex‐valued rational approximations
Authors: Schneider Felix , Papaioannou Iason , Müller Gerhard
Published: December 2022

Surrogate models are used to alleviate the computational burden in engineering tasks, which require the repeated evaluation of computationally demanding models of physical systems, such as the efficient propagation of uncertainties. For models that show a strongly non‐linear dependence on their input parameters, standard surrogate techniques, such as polynomial chaos expansion, are not sufficient to obtain an accurate representation of the original model response. It has been shown that for models with discontinuities or rational dependencies, for example, frequency response functions of dynamic systems, the use of a rational (Padé) approximation can significantly improve the approximation accuracy. In order to avoid overfitting issues in previously proposed standard least squares approaches, we introduce a sparse Bayesian learning approach to estimate the coefficients of the rational approximation. Therein the linearity in the numerator polynomial coefficients is exploited and the denominator polynomial coefficients as well as the problem hyperparameters are determined through type‐II‐maximum likelihood estimation. We apply a quasi‐Newton gradient‐descent algorithm to find the optimal denominator coefficients and derive the required gradients through application of ‐calculus. The method is applied to the frequency response functions of an algebraic frame structure model as well as that of an orthotropic plate finite element model.
Selective Oxidation of Alcohols through Fe3O4@SiO2/K2CO3‐Glycerin Deep Eutectic Solvent as a Heterogeneous Catalytic System
Authors: Abbasi Sepideh , Reza Naimi‐Jamal Mohammad , Javanshir Shahrzad , Heydari Akbar
Published: December 2022

K2CO3/Glycerin as a deep eutectic solvent (DES) was anchored covalently onto functionalized magnetic nanoparticles and showed a significant activity towards the oxidation of various alcohols under mild conditions with a short reaction time and good to high yield. A combination of the magnetic nanoparticles and deep eutectic solvent offers a novel, green, reusable catalyst with easy separation. Also, the catalyst structure was well characterized using techniques such as FT‐IR spectroscopy, XRD, SEM, TGA, BET, VSM, TEM, and energy‐dispersive X‐ray spectroscopy (EDS).
Continuous Flow Synthesis of Cd1‐xZnxS and CdS/ZnS Core/Shell Semiconductor Nanoparticles by MicroJet Reactor Technology
Authors: Hiemer Julia , Stöwe Klaus
Published: December 2022

From aqueous precursor solutions of metal salts and sodium sulfide using MicroJet Reactor (MJR) technology Cd1‐xZnxS and CdS/ZnS core/shell semiconductor nanoparticles were synthesized. The MJR approach represents an automated, continuous, flexible and scalable route for nanoparticle synthesis, providing a tight control over process parameters and thus simple size, shape and composition control. Since particle sizes below the excitonic Bohr radius were obtained by MJR, the nanoparticulate materials exhibit quantum confinement effects. By varying the precursor ratio the band gap of Cd1‐xZnxS Quantum Dots (QDs) could be targeted from 3.1 to 3.6 eV. CdS/ZnS core/shell QDs were prepared by enclosing CdS particles from MJR with ZnS produced by thermal decomposition of a Zn‐MPA complex. Adjustment of the shell thickness increased the photoluminescence intensity by 43 %. Synthesis of ternary sulfides in the form of core/shell particles broadens the spectrum of materials accessible by MJR and demonstrates the extraordinary flexibility of the technology.
High removal of chlorinated solvents by reusable polydimethylsiloxane based absorbents
Authors: Saleh Medina Leila M. , Cánneva Antonela , Molinari Fabricio N. , D'Accorso Norma , Negri R. Martín
Published: December 2022

The objective of this work is to prepare absorbent materials based on polydimethylsiloxane (PDMS) for the absorption of organic solvents by a relative simple method, with large absorption capacities and reusability. Different particles (ZnO, MgSO4, ZnCl2, and NaHCO3) were first incorporated in PDMS and then removed by immersion in HCl (c) or water. The absorbent materials were characterized by TGA, mercury porosimetry, stress–strain curves, SEM, EDS, XPS, FTIR, and water contact angle. The materials can absorb polar organic chlorinated solvents (carbon tetrachloride, dichloroethene, dichloromethane, and chloroform) more than four times its own weight. Other solvents were also tested showing 2–3 times its own weight. Additionally, these materials show demulsification properties and absorption of oleophilic compounds. The reusability of the material makes them good candidates for remediation of polluted water.
Inclusive urban entrepreneurial ecosystem policies: An application of the meta‐synthesis approach
Authors: Shakiba Hodjat , Delangizan Sohrab , Mohamadifar Yosef
Published: December 2022

Poverty has attracted the attention of many researchers in recent years. Despite the nature of entrepreneurship to facilitate economic development, there are limited studies regarding the related concept of inclusive development. This issue is the motivating factor for this study to introduce the concept of inclusive urban entrepreneurial ecosystem (IUEE). IUEE provides a market‐ and resource‐based view of poverty alleviation and can be considered as a new pattern of inclusive business (IBs) growth. Hence, the aim of this study is to formulate policies for IUEE by conducting a qualitative meta‐synthesis of the theoretical literature. In this meta‐synthesis, we synthesized a total of 155 findings from 64 studies conducted to date. The results are grouped into 17 concepts and nine main policies as follows: IUEE modeling, considering the role of IBs, improving the ecosystem members' social interactions, supporting inclusive entrepreneurship intermediaries, sustained commitment to inclusive entrepreneurship, strengthening learning opportunities in the ecosystem, maintaining the ecosystem diversity and dynamics, improving the inclusive entrepreneurship facilities and managing the inputs and outputs of the ecosystem. The findings of this study can be used to develop IUEEs and achieve entrepreneurial cities.
C4 photosynthesis in Paulownia? A case of inaccurate citations
Authors: Young Sophie N. R. , Lundgren Marjorie R.
Published: December 2022

Societal Impact Statement

C4 photosynthesis is an ultra‐efficient mode of photosynthesis found in some of our most productive crop species yet is notably rare in trees. Given C4 photosynthesis is associated with high yield in herbaceous species, especially under hot and dry conditions, C4 trees may seem an attractive prospect for biomass production and carbon sequestration in a rapidly changing climate. This may explain why some in the literature have optimistically linked C4 photosynthesis with the exceptionally fast‐growing tree Paulownia. However, this claim is lacking in evidence and represents an example of poor citation practices leading to the spread of misinformation.

The rapid growth of trees in genus Paulownia (Paulowniaceae) has been attributed in the literature to their use of C4 photosynthesis, a complex trait that confers increased photosynthetic efficiency under certain environmental conditions. After careful examination of citations used to support the idea that Paulownia species use C4 photosynthesis, we find that there is no data underpinning this claim. Despite this, many investment schemes utilise information about the physiology of Paulownia, including photosynthetic type, to legitimise the use of Paulownia trees for financial investment and carbon offsetting.

This study uses leaf physiology, anatomy and stable isotope data to determine whether or not three species in Paulownia (Paulownia tomentosa, Paulownia fortunei and Paulownia kawakamii) use C4 photosynthesis. These data are compared with existing data for C3 and C4 woody species in the literature.

We show that the leaf physiology, anatomy and stable isotope phenotypes of the three Paulownia trees considered in the study are not consistent with those of C4 plants.

Our findings highlight how inaccurate citation of scientific findings can contribute to the spread of misinformation beyond the scientific community, as some of those promoting investments in Paulownia plantations reference the photosynthetic superiority of Paulownia as a means to legitimise its use in carbon offsetting.
The ChaC1 active site: Defining the residues and determining the role of ChaC1‐exclusive residues in the structural and functional stability
Authors: Suyal Shradha , Choudhury Chinmayee , Bachhawat Anand K.
Published: December 2022

The glutathione degrading enzyme ChaC1 is highly upregulated in several cancers and viral infections making it a potential pharmacological target for cancer therapy. As an enzyme, however, ChaC1 has a relatively high Km (~2 mM) towards its natural substrate, and therefore finding its inhibitors becomes very difficult. Given this limitation, a careful mapping of the active site has become necessary. In the current study, the enzyme‐substrate complex was generated by docking glutathione with the modeled hChaC1 structure. Using a combination of in silico and wet lab approaches, the active site residues forming direct interactions with the substrate glutathione were identified and validated. Furthermore, the role of residues exclusively conserved in the ChaC family and forming the surface of the active site were also explored for their putative role in active site stabilization. Mutants of these residues have been analysed for their structural stability and interaction with the substrate through MD simulations and MMGBSA binding energy calculations. These findings were experimentally validated by assessment of their function through in vivo assays in yeast. The experimental evidences along with the molecular modeling suggest that residues 38'YGSL'41, D68, R72, E115, and Y143 are responsible for high affinity binding of hChaC1 with the substrate/inhibitor, whereas the residues exclusive to the ChaC family are required for the structural stability of the enzyme and its active site. Such a characterization of essential active site and conserved residues is significant as a key step toward rational design of novel inhibitors of the ChaC1 enzyme.
The differential binding and biological efficacy of auxin herbicides
Authors: Prusinska Justyna , Uzunova Veselina , Schmitzer Paul , Weimer Monte , Bell Jared , Napier Richard M.
Published: December 2022

Background

Auxin herbicides have been used for selective weed control for 75 years and they continue to be amongst the most widely used weed control agents globally. The auxin herbicides fall into five chemical classes, with two herbicides not classified, and in all cases it is anticipated that recognition in the plant starts with binding to the Transport Inhibitor Response 1 (TIR1) family of auxin receptors. There is evidence that some classes of auxins act selectively with certain clades of receptors, although a comprehensive structure–activity relationship has not been available.

Results

Using purified receptor proteins to measure binding efficacy we have conducted quantitative structure activity relationship (qSAR) assays using representative members of the three receptor clades in Arabidopsis, TIR1, AFB2 and AFB5. Complementary qSAR data for biological efficacy at the whole‐plant level using root growth inhibition and foliar phytotoxicity assays have also been analyzed for each family of auxin herbicides, including for the afb5‐1 receptor mutant line.

Conclusions

Comparisons of all these assays highlight differences in receptor selectivity and some systematic differences between results for binding in vitro and activity in vivo. The results could provide insights into weed spectrum differences between the different classes of auxin herbicides, as well as the potential resistance and cross‐resistance implications for this herbicide class. © 2022 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Are benzoylium and nitrilium ions produced from substituted 2‐arene‐2‐oxazolines during mass spectrometry? A study based on density functional theory calculations, quantum theory of atoms in molecules, and electrospray ionization tandem mass spectrometry
Authors: da Silva Borges Letícia , Batista João Henrique Carvalho , Bozzini Leandro , Lourenço Celso Donizete , Lopes Norberto Peporine , Clososki Giuliano Cesar , Vessecchi Ricardo
Published: December 2022

Rationale

Oxazolines are important compounds for drug development, synthesis, and pharmaceutical applications. Interest in analyzing and developing methods to characterize reaction products from these small heterocyclics has led us to study the gas‐phase reactivity and fragmentation of seven 2‐arene‐2‐oxazolines compounds using computational chemistry combined with mass spectrometry.

Method

Protonation sites were investigated using computed proton affinity, gas‐phase basicity, and some quantum chemistry descriptors of reactivity; the B3LYP/6–31+G(d,p) computational model was used. Fragmentation mechanisms were suggested by employing data from collision‐induced dissociation (CID), energy‐resolved plots from MS/MS spectra, multiple‐stage experiments, and survival‐yield method.

Results

Protonation studies based on quantum theory of atoms in molecules (QTAIM) and computational thermochemistry were useful to describe the reactivity of the investigated 2‐arene‐2‐oxazolines, which can be protonated at the nitrogen atom. Three major fragmentation pathways were identified for the protonated molecules: formation of (a) benzoylium or (b) nitrilium ions through elimination of 71 and 72 u from the protonated molecules, respectively, and (c) elimination of 54 u from [M+H]+. These pathways were exploited by the density functional theory calculations combined with QTAIM studies.

Conclusions

Our results can help in identifying 2‐arene‐2‐oxazoline derivatives using electrospray ionization tandem mass spectrometry (ESI‐MS/MS), which can be applied for monitoring reactions through the identified diagnostic ions (product ions). Also, we can suggest that benzoylium and nitrilium ions emerge during fragmentation under CID conditions.
Design and manufacturing a novel screw‐in‐pipe inspection robot with steering capability
Authors: Torajizadeh H. , Asadirad A. , Mashayekhi E. , Dabiri Gh.
Published: December 2022

In this article, a novel in‐pipe inspection robot is designed and manufactured in Kharazmi University KharazmPipeBot. This robot is able to move through any pipeline with a predefined diameter range with a variable pitch rate and report any desired data within the pipe with the aid of the installed camera. To achieve the highest stability of the robot through the pipe, the robot's movement is based on the screw locomotion protocol provided by the aid of its rotor and stator. A simple suspension is designed for three legs of the robot by installing a passive prismatic joint equipped with a spring for each leg to provide a smoother movement for the robot chassis. The main novelty of the robot is adding an extra controlling actuator for the robot which is the steer of the front wheels. This input can control the pitch rate of the robot movement and consequently the spiral track of the wheels can be actively managed. This importance lets us to bypass the probable obstacles attached to the inner wall of the pipes. A brief presentation of the robot model is delivered. Afterward, to verify the claimed novelties of the system, a prototype of the robot is manufactured in Kharazmi University and the efficiency of the robot is demonstrated by conducting some initial experimental tests. It is shown that the robot can move with a variable pitch rate through the wall and pass a detected obstacle accordingly.
Millimeter‐Sized Hierarchical Porous Titanosilicate Supported Ultrafine Ag Nanoparticles as Highly Efficient Catalyst
Authors: Wang Minghui , Shu Ting , Ge Xinfeng , Hu Jun , Liang Yunxiao
Published: December 2022

Developing easily recyclable noble metal nanoparticle‐based heterogeneous catalysts is highly desirable for the practical applications. Herein, a millimeter‐sized hierarchical porous titanosilicate (HPTS) was prepared by the multi‐template method. Various characterization results reveal that HPTS combines the structural advantages of monolith materials and nanomaterials. HPTS is used as an advanced support to construct the Ag/HPTS catalysts via the Ag+ in situ reduction on its pore wall. Ag/HPTS shows high catalytic activity for 4‐nitrophenol (4‐NP) reduction with the TOF values of 3.91 min−1, which can be attributed to the ultrafine Ag NPs (2.04 nm) and the unique structure of HPTS. The 3D pass‐through macroporous channels facilitate mass transfer. The mesopores with ultra‐short channel remarkably enhance the accessibility of the active sites. The abundant mesopores and micropores effectively confine the Ag NPs size. Moreover, Ag/HPTS demonstrated good stability and recyclability.
Crossing borders: On‐Water Synthesis of Flavanones
Authors: Torres‐Sauret Quirino , Vilchis‐Reyes Miguel A. , Martínez Roberto , Romero‐Ceronio Nancy , Alarcon‐Matus Erika , Hernández‐Abreu Oswaldo , Vázquez Cancino Romario , Alvarado Sánchez. Cuauhtémoc
Published: December 2022

In this article, a one‐pot methodology for the synthesis of flavanones “on‐water” from simple starting materials is reported. The reaction proceeds in basic media (KOH), at room‐temperature and in distilled water, during a period of 48 h with up to 96 % yields. In addition, most flavanones are obtained pure enough after a simple filtration procedure.
Synthesis and Characterization of BaTiO3/TiO2 Heterojunction Photocatalyst for Novel Application in Photocatalytic Degradation of TBBPA under Simulated Sunlight Irradiation
Authors: Wang Shifa , Yu Chuan , Chen Xiangyu , Zhang Kening , Gao Huajing , Yu Xianlun , Zhao Xinxin , Fang Leiming , Chen Xiping , Zhang Jing
Published: December 2022

The polyacrylamide gel method combined with low temperature sintering technology (PGMCLTST) have been used to synthesize the BaTiO3/TiO2 heterojunction photocatalysts. The BaTiO3/TiO2 heterojunction photocatalyst only contains tetragonal BaTiO3, rutile TiO2 and anatase TiO2, without any other impurities. Based on a variety of characterization, it was confirmed that a special heterojunction was formed between BaTiO3 and TiO2, and there were a large number of interface defects or oxygen defects in the samples. The BaTiO3/10 wt % TiO2 heterojunction photocatalysts have high photocatalytic activity for the degradation of tetrabromobisphenol A (TBBPA) under simulated sunlight irradiation. The interfacial defects enhance the transfer and separation efficiency of charge carriers in BaTiO3/TiO2 heterojunction photocatalysts. This technique provides a new idea for the application of BaTiO3/TiO2 heterojunction photocatalysts and other heterojunction photocatalysts in the degradation of persistent organic pollutants (POPs).
A Gold(III) Complex with Potential Anticancer Properties
Authors: Khan Haseeb A. , Al‐Hoshani Ali , Isab Anvarhusein A. , Alhomida Abdullah S.
Published: December 2022

Breast cancer is the most frequently diagnosed cancer among women and is a leading cause of cancer‐related mortality in women worldwide. It is important to develop novel anticancer drugs with greater potency and fewer side effects. We synthesized a new gold(III) complex, dibenzyldithiocarbamato 2,2′‐bipyridine‐4,4′‐dicarboxaldehyde gold (DDBDG), that showed significant binding with peroxisome proliferator‐activated receptor‐gamma (PPARγ) in molecular docking analysis and demonstrated pro‐apoptotic properties in cell based assay. The IC50 values for DDBDG and sorafenib were found to be 0.875 μM and 4.445 μM, respectively. We evaluated the apoptotic effects of DDBDG and sorafenib on MCF‐7 breast cancer cell line. The results showed that DDBDG induced 2.2 folds, 4.4 folds, 5.5 folds apoptosis for 1 μM, 3 μM, and 10 μM concentrations, respectively. The induction of apoptosis for sorafenib was found to be 1.2‐folds (1 μM), 1.5‐folds (3 μM) and 1.6‐folds (10 μM). At low concentration (1 μM), DDBDG significantly increased the mitochondrial membrane potential depolarization as well as generation of reactive oxygen species in cancer cells. The in‐silico approaches showed that DDBDG is neither irritant nor having mutagenic, tumorigenic or reproductive toxicity. In conclusion, the drug‐like characteristics and potentially high apoptotic activity of DDBDG at low concentrations suggest its possible application in affordable chemotherapy of cancer.
Microwave‐Assisted Synthesis of Guar‐Gum and Carboxymethyl Cellulose‐Based Hydrogel for Efficient Removal of Crystal Violet and Brilliant Green Dyes
Authors: Vaid Vasudha , Khushbu  , Nikhil  , Dagar Nivaydita , Jindal Rajeev
Published: December 2022

This study reports the microwave synthesis of Guar gum (GG) and Carboxymethyl cellulose (CMC) based hydrogel covalently crosslinked using epichlorohydrin (epi), aiming to remove hazardous dyes like Crystal Violet (CV) and Brilliant Green (BG). The optimized parameters were the reaction time (40 s), solvent (12 ml), pH (11), the ratio of reactants (GG: CMC, 1 : 2), and crosslinker concentration (0.8 ml) resulting in the highest percentage of swelling (4215 %). The synthesized hydrogel was characterized by different techniques like FTIR, TGA, FESEM/EDX, and XRD. The adsorption ability of the synthesized hydrogel was assessed for the removal of toxic dyes. Different kinetic and isotherm models were used to evaluate the type of adsorption that occurred on hydrogel materials. The CV and BG were both removed in 96.78 and 94.01 % of the adsorption process, respectively. The pseudo‐second‐order kinetic model is the best‐fitted model for the adsorption of dyes on the synthesized hydrogel. Adsorption was determined to be homogeneous and physical adsorption, and it was revealed through adsorption isotherm studies that the Langmuir model was the best‐fitted model. The adsorption process for both dyes is spontaneous, as further confirmed by the negative values of the change in Gibbs free energy from 298 to 318 K. The synthesized hydrogel material was discovered to be a promising adsorbent to remove these toxic dyes from wastewater and can be used as an eco‐friendly and sustainable material for wastewater remediation
Electrografting a p‐Propylaniline/L–Cys Nanofilm onto a Glassy Carbon Electrode Resulting in Enhanced Electrosensing of Cd(II), Pb(II) and Hg(II)
Authors: Calvillo Solís Jonathan J. , Galicia García Mónica , González Bravo Felipe J. , Ortiz‐Ledón César A.
Published: December 2022

A glassy carbon electrode (GCE) was chemically modified with p‐propylaniline/L–Cys molecules for the sensitivity determination of Cd(II), Pb(II) and Hg(II) in aqueous medium. Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) characterized passivation of the electrode and 97.4 % surface coverage with p‐propylaniline/L–Cys molecules. Nanofilm coating was characterized by cyclic voltammetry (CV), atomic force microscopy (AFM), and Fourier transform infrared spectroscopy (FTIR) techniques to observe the surface morphology. The porous structure uniformly distributed thiol, amine and carboxylate groups throughout the coating to selectively coordinate and preconcentrate the three metal ions. Under the optimized conditions (deposition potential: −1 V vs. SCE, deposition time: 90s), square wave anodic stripping voltammetry (SWASV) electroanalysis results indicated the linear increment of electrochemical signals with an increase in the concentration of Cd(II), Pb(II) and Hg(II) in range of 2.5 to 30 μg L−1. Based on the calibration plot, limit of detection (LOD, 3σ/m) are 0.103 μg L−1, 0.055 μg L−1 and 0.01 μg L−1 respectively. Analysis of drinking and tap water samples demonstrated precision and accuracy of the electrode as a prospective sensor for analysis of more complex aqueous environmental matrices.
Synthesis of Co‐doped Cu2O Particles and Evaluation of their Photocatalytic Activity in the Degradation of Norfloxacin
Authors: Liu Zongbin , Yu Xiaojiao , Yang Fan , Wang Kai , Zhang Jian , Zhao Ningning , Chen Lei , Niu Jinfen
Published: December 2022

At present, the problem of water pollution has attracted widespread attention, especially the effective removal of antibiotics in water bodies. Compared with traditional water treatment processes, photocatalytic technology shows significant advantages. In this paper, Co‐doped Cu2O composite particles were prepared by solvothermal method. The structure and performance of the samples were characterized and tested by XRD, XPS, SEM, BET and UV‐Vis DRS, and the photocatalytic performance and photocatalytic mechanism of Co‐doped Cu2O particles were studied. The results show that the purity of the prepared sample is high, and its morphology has changed significantly. Compared with pure Cu2O, the specific surface area of Co‐doped Cu2O is increased, and the absorption intensity in the visible light range is significantly improved. The surface resistance of the doped sample is significantly reduced, and the separation efficiency of photogenerated electrons and holes is significantly improved. Among these samples, M2−Cu2O has the best photocatalytic performance, with a degradation rate of 76.8 %.
Rhodanine‐Incorporated Indole Derivatives as Pharmacologically Vital Hybrids
Authors: Upadhyay Rachana , Khalifa Zebabanu , Patel Divyesh , Patel Amit B.
Published: December 2022

Nowadays, some life‐threatening diseases keep individuals living in fear of death and experiencing health losses that were before unexpected. Therefore, there is an urgent need for the development of active pharmacological agents to minimize the injurious effect of such diseases. For that, numerous heterocyclic compounds and their hybrids have been designed, developed, and synthesized. They are also considered to be more effective against microorganisms that have developed multi‐drug resistance. 2‐Thioxo‐4‐thiazolidinone (rhodanine) and indole are regarded as advantageous heterocycles in medicinal chemistry. The pharmacological properties of rhodanine scaffolds can be improved by incorporating indole moieties. The present review expresses the pharmacological advances of rhodanine‐incorporated indole derivatives along with their structure‐activity relationships (SAR). To find novel drugs and combat serious diseases, we have observed that such hybrid structures are more effective pharmacophores than single motifs.
Tailor‐made FAU zeolite composite membrane for wastewater treatment
Authors: Chathurappan Raja , Anandkumar Jayapal
Published: December 2022

In this work, a novel multipurpose Faujasite (FAU) zeolite composite membrane was fabricated by in‐situ hydrothermal method to separate different solute molecules such as vanillic acid, phenol, and brilliant green from the aqueous solution. The coal fly ash based ceramic substrate was synthesized and used as substrate for preparing the zeolite composite membrane. The X‐ray diffraction (XRD) pattern confirmed the crystalline nature of membranes and the presence of Quartz and hematite in the composite membrane. The presence of Si‐O and Al‐O in zeolite coated composite membrane was confirmed by Fourier Transform infrared spectroscopy (FTIR) analysis. Scanning electron microscope (SEM) analysis showed the porous structure and 8.34 μm thickness of zeolite coating on membrane. The isoelectric point of composite membrane was observed at pH 2.07 through zeta potential analysis. Brunauer‐Emmett‐Teller (BET) surface area, average pore volume and pore diameter of zeolite composite membrane were estimated as 6.406 m2/gm, 0.0070 cm3/gm, and 4.371 nm, respectively. The hydraulic pore radius and porosity of composite membranes were 27.7 nm and 20.1%. The maximum separation efficiency of FAU zeolite composite membrane towards vanillic acid, phenol and brilliant green was estimated as 78.67%, 89.13%, and 94.28%, respectively, for 200 mg/L feed concentration at 276 kPa applied pressure. The results obtained in this study reveals that the multipurpose FAU zeolite composite membrane fabricated in this study can be effectively used for separation of various solutes molecules present in the wastewater.
Equine endoparasite resistance and its management – a vet practice perspective
Authors: Wallace JDG
Published: December 2022

With concerns growing globally about anthelmintic resistance in equine endoparasites, James Wallace's practice undertook some research among its horse‐owning clients and introduced a fixed‐fee parasite management programme to help ensure the most effective use of these valuable medicines.
Collaboration and horizon scanning at the annual BVA workshop
Authors: Findon Amelia
Published: December 2022

BVA Officers recently met with colleagues from specialist divisions, affiliate organisations and affinity groups to share ideas and explore opportunities for joint working. Amelia Findon, BVA director of policy and governance, rounds up proceedings.
Local to national. Our CPD club now benefits hundreds of vet nurses
Authors: Bye Helen , Gilder Bryony
Published: December 2022

Helen Bye and Bryony Gilder set up an in‐house CPD club that has blossomed into into a nationwide learning opportunity used by hundreds of vet nurses.
Treatment, rehabilitation and release of a puma (Puma concolor) with sixth lumbar vertebra fracture
Authors: Ramos Guilherme Rezende , Rahal Sheila Canevese , Fernandes Michelle Colpani , da Silva Jeana Pereira , Mamprim Maria Jaqueline
Published: December 2022

An approximately 5‐month‐old, male puma (Puma concolor) was rescued after being hit by a vehicle on a highway. Radiographic examination revealed caudal endplate fracture of L6 and fissure of the vertebral arch with articular facet involvement. Conservative treatment was considered the most appropriate option due to the clinical signs, location and fracture type. The animal was confined in an enclosure that allowed limited mobility. On the 35th day after admission, a new radiographic exam showed signs similar to osteomyelitis. A 30‐day treatment with amoxicillin‐clavulanate was successful in resolving the suspected infection. At the same time, environmental enrichment was carried out by feeding living prey, which allowed the puma to be released into its natural habitat on the 79th day after admission.
Coagulation removal of nickel (II) ions by ferric chloride: Efficiency and mechanism
Authors: Linnikov Оleg D. , Rodina Irina V. , Zakharova Galina S. , Mikhalev Konstantin N. , Baklanova Inna V. , Kuznetsova Yulia V. , Germov Alexander Yu. , Goloborodskii Boris Yu. , Tyutyunnik Alexander P. , Fattakhova Zilara A.
Published: December 2022

Removal of heavy metal ions, in particular, divalent nickel ions from natural and wastewater, is of great importance for the environment. Nickel (II) ions are very toxic and provoke many diseases. The purpose of this work was to study the possibility of removing toxic nickel (II) ions from polluted water using an iron (III) chloride (FeCl3) coagulant. It is shown that the removal of nickel ions from aqueous solution by iron (III) hydroxide precipitate formed during the coagulation process at pH 7 and 8 is described with satisfactory accuracy by the classical adsorption isotherms of Freundlich, Langmuir, and Dubinin‐Radushkevich. The studies performed with the use of X‐ray powder diffraction and thermal analyses, IR, Raman, and Mössbauer spectroscopy have shown that the uptake of nickel ions by iron (III) hydroxide precipitate is due to simple physical adsorption and is not accompanied by the formation of mixed iron and nickel compounds. No alloying of the formed iron (III) hydroxide precipitate with nickel ions takes place either. The formed iron (III) hydroxide precipitate is a two‐line ferrihydrite having the gross formula Fe2O3 × 3H2O. Its sorption capacity for nickel ions is almost an order of magnitude higher than that of some mineral and carbon sorbents, and at pH 7 and 8, it is 60.5 and 141.9 mg/g, respectively.

Practitioner Points

Coagulant FeCl3 cleans contaminated solutions from Ni(II) ions.

Iron (III) hydroxide precipitated at pH 7 and 8 is a two‐line ferrihydrite Fe2O3 × 3H2O.

Removing of Ni(II) ions is described by classical adsorption isotherms.

The most complete removal of Ni(II) ions occurs at pH = 8.