bluuebunny/crossref_metadata_2025 huggingface dataset:
Recurrence with lymph node and brain metastasis of an oncocytic carcinoma of the submandibular gland: A case report
Authors: Nechi Salwa , Gharbi Ghada , Douggaz Amel , Belfekih Houda , Chaabane Abir , Mfarrej Mohamed Karim , Chelbi Emna
Published: December 2022

Oncocytic carcinomas of the salivary glands are rare. The submandibular gland is a rare location. It is usually associated with a poor prognosis and recurrence after treatment. We report a case of a 52‐year‐old man with a lymph node and brain metastasis recurrence of an oncocytic carcinoma of the submandibular gland.
Emergent balloon pulmonary angioplasty in a patient with central‐type chronic thromboembolic pulmonary hypertension with cardiac shock
Authors: Tamura Hiroto , Hosokawa Shinobu , Yuba Kenichiro
Published: December 2022

The standard treatment of chronic thromboembolic pulmonary hypertension (CTEPH) is pulmonary endarterectomy (PEA); however, it may be unsuitable in the presence of comorbidities such as cardiac shock and severe hypoxia. We describe a successful case of emergent balloon pulmonary angioplasty performed before PEA in a patient with deteriorating central‐type CTEPH.
The Discovery of Imine Reductases and their Utilisation for the Synthesis of Tetrahydroisoquinolines
Authors: Cárdenas‐Fernández Max , Roddan Rebecca , Carter Eve M. , Hailes Helen C. , Ward John M.
Published: December 2022

Imine reductases (IREDs) are NADPH‐dependent enzymes with significant biocatalytic potential for the synthesis of primary, secondary, and tertiary chiral amines. Their applications include the reduction of cyclic imines and the reductive amination of prochiral ketones. In this study, twenty‐nine novel IREDs were revealed through genome mining. Imine reductase activities were screened at pH 7 and 9 and in presence of either NADPH or NADH; some IREDs showed good activities at both pHs and were able to accept both cofactors. IREDs with Asn and Glu at the key 187 residue showed preference for NADH. IREDs were also screened against a series of dihydroisoquinolines to synthesise tetrahydroisoquinolines (THIQs), bioactive alkaloids with a wide range of therapeutic properties. Selected IREDs showed high stereoselectivity, as well high THIQ yields (>90 %) when coupled to a glucose‐6‐phosphate dehydrogenase for NADPH cofactor recycling.
Temozolomide treatment inhibits spontaneous motivation for exploring a complex object in mice: A potential role of adult hippocampal neurogenesis in “curiosity”
Authors: Mañas‐Padilla M. Carmen , Melgar‐Locatelli Sonia , Vicente Lucía , Gil‐Rodríguez Sara , Rivera Patricia , Rodríguez‐Pérez Celia , Castilla‐Ortega Estela
Published: December 2022

Intrinsic exploratory biases are an innate motivation for exploring certain types of stimuli or environments over others, and they may be associated with cognitive, emotional, and even personality‐like traits. However, their neurobiological basis has been scarcely investigated. Considering the involvement of the hippocampus in novelty recognition and in spatial and pattern separation tasks, this work researched the role of adult hippocampal neurogenesis (AHN) in intrinsic exploratory bias for a perceptually complex object in mice. Spontaneous object preference tasks revealed that both male and female C57BL/6J mice showed a consistent unconditioned preference for exploring “complex”—irregular—objects over simpler ones. Furthermore, increasing objects’ complexity resulted in an augmented time of object exploration. In a different experiment, male mice received either vehicle or the DNA alkylating agent temozolomide (TMZ) for 4 weeks, a pharmacological treatment that reduced AHN as evidenced by immunohistochemistry. After assessment in a behavioral test battery, the TMZ‐treated mice did not show any alterations in general exploratory and anxiety‐like responses. However, when tested in the spontaneous object preference task, the TMZ‐treated mice did not display enhanced exploration of the complex object, as evidenced both by a reduced exploration time—specifically for the complex object—and a lack of preference for the complex object over the simple one. This study supports a novel role of AHN in intrinsic exploratory bias for perceptual complexity. Moreover, the spontaneous complex object preference task as a rodent model of “curiosity” is discussed.
A Colloidal Synthesis Route Towards AgBiS2 Nanocrystals Based on Metal Xanthate Precursors
Authors: Vakalopoulou Efthymia , Knez Daniel , Sigl Marco , Kothleitner Gerald , Trimmel Gregor , Rath Thomas
Published: December 2022

Silver bismuth sulfide (AgBiS2) is showing impressive thermoelectric and photovoltaic properties and has a high potential to replace toxic cadmium or lead containing semiconductors in many applications. Herein, we report on a synthesis route for AgBiS2 nanocrystals applying metal xanthates as precursors. Silver xanthates could not be used so far in solution‐based syntheses for Ag‐containing metal sulfide nanocrystals as they are typically insoluble in organic solvents. An investigation of the synthesis process revealed that even though the silver xanthate is not soluble in the used solvent mixture consisting of octadecene and oleylamine, the decomposition of both precursors and the formation of AgBiS2 nanocrystals is initiated already at room temperature by the amine functionality of the ligand. At room temperature, primary crystallite sizes of approximately 4 nm are observed and at a reaction temperature of 200 °C, the size of the AgBiS2 nanocrystals increases to 7–8 nm.
Synthesis of Highly Dispersible Functionalized Carbon Nanotubes as Conductive Material through a Facile Drying Process for High‐Power Lithium‐ion Batteries
Authors: Kim Jiseong , Park Da‐Bin , Hong Choi Jae , Jo Minki , Kim Seokhui , Oh Pilgun , Son Yoonkook
Published: December 2022

Herein, surface‐functionalized carbon nanotubes (CNTs) were successfully synthesized by dry ball milling that facilitates industrial application. The optimal conditions were determined by analyzing the physicochemical characteristics of CNTs, including the content of the carboxyl group (−COOH) induced on the surface of CNTs by co‐existing dry ice based on the ball milling time. Among them, 30 s ball milling (CNTs‐30s) showed a high dispersibility in N‐methyl‐2‐pyrrolidone (NMP) while retaining most carboxyl groups and maintaining the intrinsic high conductivity. In the evaluation of rate capability and 5 C/5 C cyclability applied to the Li1+x(Ni1−y−zCoyMnz)1−xO2 with 60 % Ni (NCM622) cathode, CNTs‐30s showed excellent performance based on a well‐formed conductive network. Regarding improved dispersion properties and electrochemical performance, the optimal surface functionalization conditions, dispersibility, and electrode properties according to the processing time were analyzed; based on these, the correlation with electrochemical performance was confirmed.
Impacts of climate change on species distribution patterns of Polyspora sweet in China
Authors: Fan Zhi‐Feng , Zhou Bing‐Jiang , Ma Chang‐Le , Gao Can , Han Dan‐Ni , Chai Yong
Published: December 2022

Climate change is an important driver of species distribution and biodiversity. Understanding the response of plants to climate change is helpful to understand species differentiation and formulate conservation strategies. The genus Polyspora (Theaceae) has an ancient origin and is widely distributed in subtropical evergreen broad‐leaved forests. Studies on the impacts of climate change on species geographical distribution of Chinese Polyspora can provide an important reference for exploring the responses of plant groups in subtropical evergreen broad‐leaved forests with geological events and climate change in China. Based on the environmental variables, distribution records, and chloroplast genomes, we modeled the potential distribution of Chinese Polyspora in the Last Glacial Maximum, middle Holocene, current, and future by using MaxEnt‐ArcGIS model and molecular phylogenetic method. The changes in the species distribution area, centroid shift, and ecological niche in each periods were analyzed to speculate the response modes of Chinese Polyspora to climate change in different periods. The most important environmental factor affecting the distribution of Polyspora was the precipitation of the driest month, ranging from 13 to 25 mm for the highly suitable habitats. At present, highly suitable distribution areas of Polyspora were mainly located in the south of 25°N, and had species‐specificity. The main glacial refugia of the Chinese Polyspora might be located in the Ailao, Gaoligong, and Dawei Mountains of Yunnan Province. Jinping County, Pingbian County, and the Maguan County at the border of China and Vietnam might be the species differentiation center of the Chinese Polyspora. Moderate climate warming in the future would be beneficial to the survival of P. axillaris, P. chrysandra, and P. speciosa. However, climate warming under different shared socio‐economic pathways would reduce the suitable habitats of P. hainanensis and P. longicarpa.
Differentiation of claustrum resting‐state functional connectivity in healthy aging, Alzheimer's disease, and Parkinson's disease
Authors: Ayyildiz Sevilay , Velioglu Halil Aziz , Ayyildiz Behcet , Sutcubasi Bernis , Hanoglu Lutfu , Bayraktaroglu Zubeyir , Yildirim Suleyman , Atasever Alper , Yulug Burak
Published: December 2022

The claustrum is a sheet‐like of telencephalic gray matter structure whose function is poorly understood. The claustrum is considered a multimodal computing network due to its reciprocal connections with almost all cortical areas as well as subcortical structures. Although the claustrum has been involved in several neurodegenerative diseases, specific changes in connections of the claustrum remain unclear in Alzheimer's disease (AD), and Parkinson's disease (PD). Resting‐state fMRI and T1‐weighted structural 3D images from healthy elderly (n = 15), AD (n = 16), and PD (n = 12) subjects were analyzed. Seed‐based FC analysis was performed using CONN FC toolbox and T1‐weighted images were analyzed with the Computational Anatomy Toolbox for voxel‐based morphometry analysis. While we observed a decreased FC between the left claustrum and sensorimotor cortex, auditory association cortex, and cortical regions associated with social cognition in PD compared with the healthy control group (HC), no significant difference was found in alterations in the FC of both claustrum comparing the HC and AD groups. In the AD group, high FC of claustrum with regions of sensorimotor cortex and cortical regions related to cognitive control, including cingulate gyrus, supramarginal gyrus, and insular cortex were demonstrated. In addition, the structural results show significantly decreased volume in bilateral claustrum in AD and PD compared with HC. There were no significant differences in the claustrum volumes between PD and AD groups so the FC may offer more precise findings in distinguishing changes for claustrum in AD and PD.
Gender diversity advantage at middle management: Implications for high performance work system improvement and organizational performance
Authors: Joo Min‐Kyu , Lee Jeong‐Yeon , Kong Dejun Tony , Jolly Phillip M.
Published: December 2022

Research on women in leadership positions has largely focused on the board or top management team (TMT) leadership level, showing that increased female representation at these levels can benefit organizational performance. However, the strategic implications of female representation at middle management have been largely neglected. The current study addresses this issue in relation to High Performance Work System (HPWS) improvement and organizational performance (profitability). By analyzing the multi‐wave (2009, 2011, and 2013) Workplace Panel Survey (WPS) data collected from 1101 organizations in South Korea, we found a gender diversity advantage at middle management; that is, a higher level of gender diversity of middle management translated into a higher level of organizational performance due to HPWS improvement. However, this advantage appeared only in the presence of a high level of subordinates' gender diversity. Our findings have important implications for gender diversity and strategic human resource management.
Quantifying connectivity and its effects on sediment budgeting for an agricultural basin, Chesapeake Bay Watershed, United States
Authors: Clifton Zachary J. , Cashman Matthew J. , Gellis Allen C. , Katoski Michelle P. , Nibert Lucas A. , Noe Gregory B.
Published: December 2022

Excessive sediment runoff as a result of anthropogenic activities is a major concern for watershed ecologic health. This study sought to determine the sources, storage, and delivery of sediment using a sediment budget approach for the predominantly pasture and forested Smith Creek watershed, Virginia United States, a tributary to the Chesapeake Bay. Utilizing a novel combination of the Universal Soil Loss Equation (USLE) model and an index of connectivity along with field surveys of channels, this study indicated that streambanks and pastures were major sources of sediment. Overestimation of fine‐grained sediment flux exported from the watershed according to this study's models (3811 Mg/year) compared to export measured at the outlet (2918 Mg/year) most likely indicates underestimation of storage in the watershed from unaccounted for geomorphic features (ponds, toe slopes, and colluvial slopes). Sediment budget results indicating that streambanks are a major source of sediment in the watershed support previous sediment fingerprinting results and provide a framework for managers to address the sediment problem in Smith Creek and similar tributaries to the Chesapeake Bay.
Mothers with borderline personality disorders' experiences of mother–infant dialectical behavior therapy
Authors: Francis Jaimee L. , Sawyer Alyssa , Roberts Rachel , Yelland Chris , Drioli‐Phillips Phoebe , Sved Williams Anne E.
Published: December 2022

Background: Borderline personality disorder (BPD) is increasingly diagnosed in perinatal and infant settings, and research suggests that as well as an escalation of BPD symptoms in this period, these symptoms may also be detrimental to infant development. Providing tailored treatments during the postnatal period may help women and prevent an intergenerational cycle of emotional and interpersonal symptoms in infants. Mother–infant dialectical behavior therapy (MI‐DBT) has produced promising, yet inconsistent, improvements on quantitative scales of maternal mental health and the mother–infant relationship. The qualitative evaluation may provide complementary information.

Aims: This study aimed to explore the subjective experiences of women who had completed MI‐DBT.

Material and Methods: Thematic analysis of semistructured interviews conducted on 13 women undertaking MI‐DBT before, post, and 12 months after MI‐DBT were analyzed for themes.

Results: Five major themes were identified. Overall, the women expressed that their emotional literacy and regulation improved after MI‐DBT, subsequently addressing key risks and challenges such as uncertainty around their child's cues, and low self‐esteem, and potentially improving the women's mentalization capability.

Discussion and Conclusions: This study consolidates previous research on maternal BPD, and provides qualitative evidence of the benefits of MI‐DBT for mothers as both individuals and as parents with likely flow‐on effects for infants. Lived experience input for future adaptations was a valuable gain.
Diagnostic test accuracy of ultrasound for sarcopenia diagnosis: A systematic review and meta‐analysis
Authors: Fu Hongbo , Wang Lei , Zhang Wenyi , Lu Jing , Yang Ming
Published: December 2022

Muscle ultrasound is an emerging tool for diagnosing sarcopenia. This review aims to summarize the current knowledge on the diagnostic test accuracy of ultrasound for the diagnosis of sarcopenia. We collected data from Ovid Medline, Embase and the Cochrane Central Register of Controlled Trials. Diagnostic test accuracy studies using muscle ultrasound to detect sarcopenia were included. Bivariate random‐effects models based on sensitivity and specificity pairs were used to calculate the pooled estimates of sensitivity, specificity and the area under the curves (AUCs) of summary receiver operating characteristic (SROC), if possible. We screened 7332 publications and included 17 studies with 2143 participants (mean age range: 52.6–82.8 years). All included studies had a high risk of bias. The study populations, reference standards and ultrasound measurement methods varied across the studies. Lower extremity muscles were commonly studied, whereas muscle thickness (MT) was the most widely measured parameter, followed by the cross‐sectional area (CSA). The MTs of the gastrocnemius, rectus femoris, tibialis anterior, soleus, rectus abdominis and geniohyoid muscles showed a moderate diagnostic accuracy for sarcopenia (SROC‐AUC 0.83, 8 studies; SROC‐AUC 0.78, 5 studies; AUC 0.82, 1 study; AUC 0.76–0.78, 2 studies; AUC 0.76, 1 study; and AUC 0.79, 1 study, respectively), whereas the MTs of vastus intermedius, quadriceps femoris and transversus abdominis muscles showed a low diagnostic accuracy (AUC 0.67–0.71, 3 studies; SROC‐AUC 0.64, 4 studies; and AUC 0.68, 1 study, respectively). The CSA of rectus femoris, biceps brachii muscles and gastrocnemius fascicle length also showed a moderate diagnostic accuracy (AUC 0.70–0.90, 3 studies; 0.81, 1 study; and 0.78–0.80, 1 study, respectively), whereas the echo intensity (EI) of rectus femoris, vastus intermedius, quadriceps femoris and biceps brachii muscles showed a low diagnostic accuracy (AUC 0.52–0.67, 2 studies; 0.48–0.50, 1 study; 0.43–0.49, 1 study; and 0.69, 1 study, respectively). The combination of CSA and EI of biceps brachii or rectus femoris muscles was better than either CSA or EI alone for diagnosing sarcopenia. Muscle ultrasound shows a low‐to‐moderate diagnostic test accuracy for sarcopenia diagnosis depending on different ultrasound parameters, measured muscles, reference standards and study populations. The combination of muscle quality indicators (e.g., EI) and muscle quantity indicators (e.g., MT) might provide better diagnostic test accuracy.
The crosstalk between gut barrier impairment, mitochondrial dysfunction, and microbiota alterations in people living with HIV
Authors: Santinelli Letizia , Rossi Giacomo , Gioacchini Giorgia , Verin Ranieri , Maddaloni Luca , Cavallari Eugenio N. , Lombardi Francesca , Piccirilli Alessandra , Fiorucci Stefano , Carino Adriana , Marchianò Silvia , Lofaro Chiara M. , Caiazzo Sara , Ciccozzi Massimo , Scagnolari Carolina , Mastroianni Claudio M. , Ceccarelli Giancarlo , d'Ettorre Gabriella
Published: December 2022

Functional and structural damage of the intestinal mucosal barrier significantly contribute to translocation of gut microbial products into the bloodstream and are largely involved in HIV‐1 associated chronic immune activation. This microbial translocation is largely due to a progressive exhaustion of intestinal macrophage phagocytic function, which leads to extracellular accumulation of microbial derived components and results in HIV‐1 disease progression. This study aims to better understand whether the modulation of gut microbiota promotes an intestinal immune restoration in people living with HIV (PLWH). Long‐term virologically suppressed PLWH underwent blood, colonic, and fecal sampling before (T0) and after 6 months (T6) of oral bacteriotherapy. Age‐ and gender‐matched uninfected controls (UC) were also included. 16S rRNA gene sequencing was applied to all participants' fecal microbiota. Apoptosis machinery, mitochondria, and apical junctional complex (AJC) morphology and physiological functions were analyzed in gut biopsies. At T0, PLWH showed a different pattern of gut microbial flora composition, lower levels of occludin (p = 0.002) and zonulin (p = 0.01), higher claudin‐2 levels (p = 0.002), a reduction of mitochondria number (p = 0.002), and diameter (p = 0.002), as well as increased levels of lipopolysaccharide (LPS) (p = 0.018) and cCK18 (p = 0.011), compared to UC. At T6, an increase in size (p = 0.005) and number (p = 0.008) of mitochondria, as well as amelioration in AJC structures (p < 0.0001) were observed. Restoration of bacterial richness (Simpson index) and biodiversity (Shannon index) was observed in all PLWH receiving oral bacteriotherapy (p < 0.05). Increased mitochondria size (p = 0.005) and number (p = 0.008) and amelioration of AJC structure (p < 0.0001) were found at T6 compared to T0. Moreover, increased occludin and zonulin concentration were observed in PLWH intestinal tracts and decreased levels of claudin‐2, LPS, and cCK18 were found after oral bacteriotherapy (T0 vs. T6, p < 0.05 for all these measures). Oral bacteriotherapy supplementation might restore the balance of intestinal flora and support the structural and functional recovery of the gut mucosa in antiretroviral therapy treated PLWH.
Centralized contrastive loss with weakly supervised progressive feature extraction for fine‐grained common thorax disease retrieval in chest x‐ray
Authors: Chen Fang , You Lei , Zhao Weiling , Zhou Xiaobo
Published: December 2022

Background

Medical images have already become an essential tool for the diagnosis of many diseases. Thus a large number of medical images are being generated due to the daily routine inspection. An efficient image‐based disease retrieval system will not only make full use of existing data, but also help physicians to prognosis the diseases. Medical image retrieval is represented by the classification and localization of common thorax diseases in x‐ray images. Although extensive efforts have been put into this field, there are still many challenges.

Purpose

Most of the existing fine‐grained image research methods just apply existing deep learning frameworks in extracting the image features. However, these high‐level features mainly focus on the global representations of the object, rather than simultaneously considering the local ones. It requires fine‐grained details to classify the images with similar lesion areas. Thus, it is necessary to combine the global features and local ones to make the features more discriminative. On the other hand, training CNN models based on current existing strategies have a high time complexity, and is hard to get the discriminative features mentioned above. In addition, the visual retrieval method of fine‐grained medical images still has the problem of insufficient sample data with accurate annotation information.

Methods

To address above challenges, we introduced a novel fine‐grained medical images retrieval method. First, a centralized contrastive loss (CCLoss) is proposed as our metric learning loss function. Parameters are updated by using the center point, which not only improves the distinguishing performance of features, but also effectively reduces the time complexity of the algorithm. In addition, a weakly supervised progressive feature extraction method is proposed to gradually extract the combined features. And the attention mechanism module is applied to screen the target information after the initial positioning for fine refinement, so as to separate the features with a high degree of discrimination. The retrieval of 14 different chest diseases is evaluated on the chest x‐ray datasets.

Results

Compared with the existing research methods, the proposed method shows a better retrieval result for Recall@8 by 2.26 and achieves a very efficient training speed which is 100 times faster than the pair‐wise loss‐based training strategy. We also assessed the effects of Recall@k (k= 2, 4, 6, 8) for progressive features extracted from different steps to obtain a model with the best retrieval performance.

Conclusions

The proposed model is capable of learning discriminative representations from chest x‐ray datasets, and it achieves better performance compared with other state‐of‐the‐art methods. Therefore, the developed model would be useful in the diagnosis of common thorax disease or unknown chest disease.
DiFiR‐CT: Distance field representation to resolve motion artifacts in computed tomography
Authors: Gupta Kunal , Colvert Brendan , Chen Zhennong , Contijoch Francisco
Published: December 2022

Background

Motion during data acquisition leads to artifacts in computed tomography (CT) reconstructions. In cases such as cardiac imaging, not only is motion unavoidable, but evaluating the motion of the object is of clinical interest. Reducing motion artifacts has typically been achieved by developing systems with faster gantry rotation or via algorithms which measure and/or estimate the displacement. However, these approaches have had limited success due to both physical constraints as well as the challenge of estimating non‐rigid, temporally varying, and patient‐specific motion fields.

Purpose

To develop a novel reconstruction method which generates time‐resolved, artifact‐free images without estimation or explicit modeling of the motion.

Methods

We describe an analysis‐by‐synthesis approach which progressively regresses a solution consistent with the acquired sinogram. In our method, we focus on the movement of object boundaries. Not only are the boundaries the source of image artifacts, but object boundaries can simultaneously be used to represent both the object as well as its motion over time without the need for an explicit motion model. We represent the object boundaries via a signed distance function (SDF) which can be efficiently modeled using neural networks. As a result, optimization can be performed under spatial and temporal smoothness constraints without the need for explicit motion estimation.

Results

We illustrate the utility of DiFiR‐CT in three imaging scenarios with increasing motion complexity: translation of a small circle, heart‐like change in an ellipse's diameter, and a complex topological deformation. Compared to filtered backprojection, DiFiR‐CT provides high quality image reconstruction for all three motions without hyperparameter tuning or change to the architecture. We also evaluate DiFiR‐CT's robustness to noise in the acquired sinogram and found its reconstruction to be accurate across a wide range of noise levels. Lastly, we demonstrate how the approach could be used for multi‐intensity scenes and illustrate the importance of the initial segmentation providing a realistic initialization. Code and supplemental movies are available athttps://kunalmgupta.github.io/projects/DiFiR‐CT.html.

Conclusions

Projection data can be used to accurately estimate a temporally‐evolving scene without the need for explicit motion estimation using a neural implicit representation and analysis‐by‐synthesis approach.
Generation mechanism and control of high‐frequency vibration for tracked vehicles
Authors: Wang Pingxin , Rui Xiaoting , Liu Feifei , Wang Guoping , Yu Hailong , He Bin , Gu Junjie
Published: December 2022

A crawler system provides much larger ground contact, leading to excellent terrain adaptability. Due to its structural characteristics, high‐frequency vibration proportional to the vehicle speed is generated during the driving process. This is a result of the polygon and rolling effects between the track and the wheels. A field test of a tracked vehicle is performed to monitor movement signals of the chassis and a rocker arm. Their corresponding power spectral density distributions confirm the correctness of the frequency‐calculation equation. Then, a novel elastic track tensioning device with a damper is designed as a cushion between the idler and the chassis. Depending on its geometry, the equivalent damping coefficient for a dynamic model is evaluated. Subsequently, the damping is altered in response to different operating conditions by a hybrid damping fuzzy semiactive control system. The controller accounts for both chassis and track vibration. Based on the transfer matrix method for multibody systems, a dynamical model of the track system is developed. Control performances are evaluated using two numerical simulations of obstacle crossing and off‐road driving operations. Results indicate that the proposed semiactive tensioner is substantially better than the conventional one. This paper provides a novel feasible scheme for vibration reduction of tracked vehicles.
Layer‐by‐layer preparation of electromagnetic NH2‐SiO2/polypyrrole/Ni nanocomposites, characterization and their electrochemical properties
Authors: Ali M Sagor , Rahman M Mahabur , Minami Hideto , Hossain M Kawsar , Rahman M Abdur , Gafur M Abdul , Ahmad Hasan
Published: December 2022

Combinations of organic conducting polymers and inorganic electromagnetic materials have drawn much attention in various fields like energy storage materials, biosensors, biomedical applications, catalysis and removal of heavy metals from water. In this investigation an attempt is made to decorate polypyrrole (PPy), a semiconducting electroactive polymer, with Ni nanoparticles on a functional silica (SiO2) support. First, amine‐functionalized mesoporous NH2‐SiO2 seed particles are prepared by the sol–gel method using hexamethylenediamine as a surface‐functionalizing agent and cetyltrimethylammonium bromide as a template. Second, NH2‐SiO2/PPy composite particles are prepared via in situ seeded chemical oxidative polymerization of pyrrole. The surface of the NH2‐SiO2/PPy composite particles is finally immobilized/doped with Ni nanoparticles via in situ chemical reduction of Ni(II) salt. The surface morphology, structure modification, size distribution and magnetic properties of the prepared NH2‐SiO2/PPy/Ni nanocomposite particles are confirmed using various spectroscopic techniques, electron microscopy, Brunauer–Emmett–Teller measurements, X‐ray diffraction and vibrating sample magnetometry. The NH2‐SiO2/PPy/Ni nanocomposite particles possess good paramagnetic properties. A comparative study of electrochemical properties revealed improvement in specific capacitance of NH2‐SiO2/PPy composite compared to PPy but further decoration with Ni nanoparticles under alkaline condition reduces the capacitance value. © 2022 Society of Industrial Chemistry.
Uniaxial Pressure‐Induced 2D–1D Dimensionality Change in GaSe and Related Materials
Authors: Stepanov Roman , Gerega Vasilisa , Suslov Anton , Kolobov Alexander
Published: December 2022

2D materials with van der Waals (vdW) gaps between covalently bonded blocks are in the focus of modern semiconductor science and technology. Of special interest is the possibility to control their properties through the vdW gap reconfiguration. Herein, using first‐principles simulations it is demonstrated that uniaxial compression of GaSe, counterintuitively, does not serve to close the gap but, instead, changes the dimensionality from 2D to quasi‐1D, with flat GaSe chains oriented along the applied pressure. The structural change is accompanied by drastic changes in electronic structure. The inability to close the vdW gap to the antibonding nature of Se–Se interactions is attributed.
Refined moderation analysis with categorical outcomes in precision medicine
Authors: Su Xiaogang , Cho Youngjoo , Ni Liqiang , Liu Lei , Dusseldorp Elise
Published: December 2022

Moderation analysis is an integral part of precision medicine research. Concerning moderation analysis with categorical outcomes, we start with an interesting observation, which shows that heterogeneous treatment effects could be equivalently estimated via a role exchange between the outcome and the treatment variable in logistic regression models. Hence two estimators of moderating effects can be obtained. We then established the joint asymptotic normality for the two estimators, on which basis refined inference can be made for moderation analysis. The improved precision is helpful in addressing the lack‐of‐power problem that is common in search of moderators. The above‐mentioned results hold for both experimental and observational data. We investigate the proposed method by simulation and provide an illustration with data from a randomized trial on wart treatment.
Biosynthesized Silver Nanoparticles Encapsulated in a Poly(vinyl alcohol) Matrix: Dielectric and Structural Properties
Authors: Bulla Soumya S. , Bhajantri R. F. , Chavan Chetan , Sakthipandi K.
Published: December 2022

In the present investigation, silver (Ag) nanoparticles were prepared employing green synthesis from the aqueous leaves extract of Cyperus rotundus (CR) plant at ambient temperature in less reaction time. A preliminary phytochemical analysis test was performed, and it has been revealed that the extract comprised bioactive components such as alkaloids, phenols, and terpenoids, among others. For average size, the morphology (spherical shape) and purity of the nanoparticles were characterized using scanning electron microscopy (SEM, 358 nm) with energy‐dispersive X‐ray (EDX), dynamic light scattering (27 nm), high‐resolution transmission electron microscopy (3.9 nm), and selected area electron diffraction (SAED) pattern methods. Without any extra peaks in the EDX spectrum, the produced Ag nanoparticles were confirmed to be pure. In addition, the solvent‐casting approach has been used to encapsulate a different weight fraction of biosynthesized Ag nanoparticles (CR−Ag−NPs) in a polyvinyl alcohol (PVA) matrix. By using UV‐visible, FTIR spectroscopy, and SEM, we were able to characterize the synthesized CR−Ag−NPs as well as their composite (PVA) films, and we were able to compare the results with those of pristine PVA. The effects of doping with CR−Ag−NPs on structural and morphological changes of PVA were studied. Impedance studies, including dielectric constant, dielectric loss, tangent loss, and AC conductivity, revealed that incorporating CR−Ag−NPs into the PVA matrix impacts the electrical properties of PVA. This study showed that the synthesized nanoparticles had a spherical shape with entangled biocomponents and were encapsulated within the PVA polymer matrix, indicating that CR−Ag−NPs can be used in various applications (wound healing).
Using Molecular Dynamics Simulations to Understand the Effect of Fatty Acids Chain Length on Structural and Dynamic Properties of Deep Eutectic Solvents Based on Choline Chloride and Fatty Acids
Authors: Barani Pour Samaneh , Jahanbin Sardroodi Jaber , Rastkar Ebrahimzadeh Alireza , Sadegh Avestan Mohammad
Published: December 2022

The binary mixtures of choline chloride and a series of fatty acids such as Caprylic acid (C8), Capric acid (C10), Lauric acid (C12), Myristic acid (14), and Palmitic acid (C16) have been prepared. The structural and dynamical properties of the eutectic mixture with the constant molar ratio of Ch+Cl−: FAs=1 : 1 was evaluated at 353 K. To analyze the intermolecular interactions in the binary mixtures, the 100 ns MD simulation was implemented using the NPT ensemble. The structure and properties of the binary mixtures were investigated to understand their molecular interactions. The results confirmed that the interaction between chloride ions and fatty acids has played an important role in interrupting the main interaction between the acids in the pure state. However, Interactions between chloride anion and the hydroxyl group of cations are more weakened in the presence of FAs with a shorter chain length. It is well known that there is a similar relationship between the intermolecular interactions and dynamics properties in distinctive structures of DES. Therefore, the other theme of this study is exploring the possible effect of intermolecular interactions on the self‐diffusion coefficients of species and determining the fatty acids that have stronger interactions with choline chloride salt to form the eutectic solvents. The diffusion coefficient of species was calculated by Einstein's equations. The results of dynamics properties showed the strong Hydrogen bonding network of the binary mixture of Caprylic acid and Choline chloride strongly affects molecular migrations.
Design and Fabrication of a Retrievable Magnetic Halloysite Nanotubes Supported Nickel Catalyst for the Efficient Degradation of Methylviolet 6B and Acid Orange 7
Authors: Arora Bhavya , Sharma Shivani , Dutta Sriparna , Sharma Aditi , Yadav Sneha , Rana Pooja , Mehta Shilpa , Sharma R. K.
Published: December 2022

Magnetic halloysite nanotubes based organic‐inorganic hybrid materials have elicited ripples of excitement in the area of water research and technology by the virtue of their hollow nanotubular structure, presence of adequate hydroxyl groups and tunable surface chemistry. Fascinated by these riveting benefits, a nickel based nanocatalyst has been designed wherein a bidentate chelating ligand “4‐aminoantipyrine (AA)” was anchored onto the surface of aminosilane functionalized magnetic halloysite nanotubes followed by its metalation. In a shorter time span of 30 min, the synthesized nanocatalyst showed outstanding degradation efficiency of 96.87 % and 96.22 % towards MV6B and AO7 respectively under neutral conditions. The ensuing nanocomposite in‐situ generates ⋅OH from H2O2 that aided in rapid degradation of MV6B and AO7 into innocuous products with unprecedented efficacy. Besides, the impressive magnetic attributes of designed Ni(II)@AA@APTES@MHNTs offer effortless magnetic retrievability with the aid of an external magnet and the catalyst could be recycled upto six consecutive runs. GC‐MS analysis helped in identifying the generated degradation products and provided valuable insights into the plausible degradation pathway of pollutants followed during the reaction. Through various studies, it is believed that the peerless advantages of Ni(II)@AA@APTES@MHNTs nanocatalyst will lay a foundation for treatment of wastewater containing devastating organic contaminants.
An Electrochemical Investigation into the Redox Properties of Push‐Pull Dibenzodioxins and Comparative Analysis with Analogous Heteroacenes
Authors: Raghava Tanya , Bhavana Purushothaman , Banerjee Subhadeep
Published: December 2022

A series of dibenzodioxins containing electron push‐pull groups were synthesized using simple methods and their spectroscopic and redox behavior was studied. Electrochemical experiments were performed to measure the redox potentials of the substituted dibenzodioxins. The role of individual molecular subunits in tweaking the redox potential values was delineated by comparing them with the electrochemical properties of analogous heteroacenes. In many cases, our redox potentials were found to be comparably low with that of many well‐known heteroacenes.
Effects of Different Gases on the Molecular Behavior of Alkyl Glycosides at Gas/Liquid Interface and Foam Stability
Authors: Lai Nanjun , Zhang Chengbin , Wang Junqi , Tang Lei , Ye Zhongbin
Published: December 2022

This paper has explored the effects of different gases on the foam‐coarsening behavior and drainage process of APG, and combined with molecular simulation to analyze the molecular behavior and interaction between molecules of APG in different gas phases. The influence mechanism of different gases on APG was analyzed by radial distribution function (RDF), mean square displacement (MSD), interaction energy (IFE) and other results. The results show that due to the interaction between gas, water and APG, the hydrophilicity and molecular behavior of APG are affected, resulting in differences in coarsening behavior and drainage process of foam. CO2 has a significant impact on the stability of APG foam. When N2 is used as the foaming gas, APG foam has the most stable foam performance. This work provides relevant information about the factors affecting the foam stability and contributes to a better understanding of the foam stability mechanism.
Cinnamaldehyde‐based Natural Product as Viscosity‐Sensitive Sensor toward Liquid Safety Inspection
Authors: Xu Lingfeng , Kang Minqing , Xiong Fangzhi , Sui Yan , Huang Yanrong
Published: December 2022

Liquids spoiled is considered gradually as a serious public problem, and heavily medical burden has been caused by this. We suspected that the viscosity level in the deterioration process is higher than those in the normal ones. For this reason, we have presented promising sustainable natural product, 4‐(dimethylamino)cinnamaldehyde (DLCA), for monitoring micro‐environmental viscosity alterations to achieve liquid safety inspection in a high sensitivity, rapid detection, and cheap equipment dependence pathway. This natural sensor with large stokes shift of 106.8 nm and maximum emission wavelength of 486.0 nm with high signal‐to‐noise ratio intensity. DLCA is consisted of a typical dimethylamine donor and aromatic aldehyde acceptor, connected with a rotatable single and double conjugated bond. The fluorescence intensity of this natural sensor increased 70 times with the enhancement of viscosity. The interference of other microenvironments such as pH and polarity, various potential analytes can be reduced. With the assistance of the fluorescence imaging technique, DLCA could sensitively and selectively non‐invasively identify thickening efficiency of various thickeners. Furthermore, DLCA may provide an attractive way to evaluate liquid deterioration extent with viscosity as a robust marker. We expected that this unique strategy will accelerate the efficient utilization of clean and reproducible resources.
Green Synthesis of Fe/Graphene Nanocomposite Using Cleistocalyx operculatus Leaf Extract as a Reducing Agent: Removal of Pollutants (RhB Dye and Cr6+ Ions) in Aqueous Media
Authors: Van Hoang Nguyen , Thi Xuan Quynh Nguyen , Dang Trung‐Dung , Nguyen Xuan Truong , Ngoc Toan Vu , Duc La Duong
Published: December 2022

Industrial wastewater contains many compounds that pollute the environment, which have a strong impact on humans and the ecosystem. Zero‐valent iron nanoparticles (nZVI) are materials with the potential to treat many wastes released into the aquatic environment. nZVI was synthesized via a green method using Cleistocalyx operculatus (CO) leaf extract as a reducing agent. Among them, graphene nanoplatelets (GNPs) were used as support materials to enhance the reduction capacity and stability of nZVI. The morphology, structure, and crystallinity of the nZVI@GNPs nanocomposite were demonstrated through scanning electron microscopy (SEM), X‐ray diffraction (XRD), Energy Dispersive X‐Ray Spectroscopy (EDS), and Fourier Transform Infrared (FTIR). Zero‐valent iron nanoparticles following an optimized process for spherical particles with particle sizes ranging from 30–100 nm, uniformly distributed on the surface of GNPs. The removal performance of RhB and Chromium (VI) ions by the nZVI@GNPs composite was evaluated through Ultraviolet‐Visible Spectroscopy (UV‐Vis). The results show that nZVI/GNPs can remove RhB and Cr6+ more than 98 % after 30 minutes of treatment. The affecting factors on the treatment process, such as pH, reaction time, and amount of material, were also studied.
The Criss‐Cross Cycloaddition: A Simple Access to Valuable Heterocycles and Polymers
Authors: Ali Rashid , Hasan Ahmad
Published: December 2022

Aldazines are considered as the 2,3‐diaza analogs of 1,4‐disubstituted‐1,3‐butadienes, and the addition takes place at the 1,3‐ and 2,4‐positions instead of 1,4‐ or 1,2‐positions of the conjugated double bonds to furnish the two fused five‐membered heterocyclic rings, and hence due to this peculiar reactivity pattern, in 1917, the reaction was dubbed as the “criss‐cross” cycloaddition reaction by Bailey and co‐workers ‐ a special type of the [2+3]‐cycloaddition, or 1,3‐dipolar cycloaddition. Although, the reaction is known for more than a century, but still there are only countable reports available in the literature related to this wonderful cycloaddition reaction. Therefore, bearing the importance of this reaction in the generation of heterocyclic systems including polymeric materials in mind, we intended to comprehensively compile all the relevant data about this simple yet effective cycloaddition protocol. In this review article, we mainly categorized the whole document into four sections: intermolecular, intramolecular, combined inter‐intramolecular and polymerization reactions. We are in the opinion that this particular review article would provide a seed for future advancements ‐ cycloaddition in general and “criss‐cross cycloaddition” in particular, and one can foresee a bright future for this still young area of research.
N‐Chlorosuccinimide Mediated Regioselective Sulfenylation and Halogenation of 4H‐Pyrido[1,2‐a]pyrimidin‐4‐ones at Room Temperature
Authors: Prajapati Vaibhav D. , Prajapati Ronak V. , Purohit Vishal B. , Avalani Jemin R. , Sapariya Nirav H. , Kamani Ronak D. , Karad Sharad C. , Raval Dipak K.
Published: December 2022

A simple and efficient strategy for N‐chlorosuccinimide mediated regioselective C−H sulfenylation and halogenation of 4H‐pyrido[1,2‐a]pyrimidin‐4‐ones has been established at room temperature using aryl thiols and phenyliodine(III) diacetate (PIDA) respectively. This methodology tolerated a broad variety of functional groups to obtain structurally diverse sulfenyl and halogenated 4H‐pyrido[1,2‐a]pyrimidin‐4‐one derivatives under mild conditions. It delivered a range of products which can serve as the key precursors for the synthesis of complex products relevant to pharmaceutical applications.
A software process improvement framework based on best practices
Authors: Walter Bartosz , Marovic Branko , Garnizov Ivan , Wolski Marcin , Todosijevic Andrijana
Published: December 2022

Software process improvement requires significant effort related not only to the identification of relevant issues and providing an adequate response to them, but also to the implementation and adoption of the changes. Best practices provide recommendations to software teams on how to address identified objectives in practice, based on aggregated experience and knowledge. In the paper, we present the GÉANT SPI framework based on best practices, together with the collected experience from the process of adopting the best practices.
Hemodialysis as emergency treatment of a severe baclofen intoxication in a 3 kg dog
Authors: Gabba Linda , Iannucci Claudia , Vigani Alessio
Published: December 2022

Objective

To describe the clinical efficacy and drug removal kinetics of hemodialysis (HD) as emergency treatment in a small size dog with severe baclofen intoxication.

Case description

A 2‐year‐old dog was presented in stupor to the emergency service a few hours after ingestion of up to 25 mg of baclofen. Medical stabilisation was attempted but was unsuccessful in improving the neurological condition and the patient rapidly progressed to coma. A 4‐h session of HD was performed in emergency with near complete resolution of neurological signs and only mild disorientation by the end of the treatment. No adverse side effects occurred during HD. Baclofen concentration was measured serially during the session. Drug extraction ratio, clearance and mass removal by the dialyser were calculated. Dialytic elimination rate constant (Kd) was seven times higher than the intrinsic elimination rate constant (Kintr) and the half‐life (t½) during HD was nearly nine times shorter than the endogenous one.

New or unique information provided

This is the first case report providing pharmacokinetic data associated with HD treatment of severe baclofen intoxication in a dog.