bluuebunny/crossref_metadata_2025 huggingface dataset:
The effect of the anticholinergic burden on duration and severity of delirium in older hip‐surgery patients with and without haloperidol prophylaxis: A post hoc analysis
Authors: Tillemans Monique P. H. , Butterhoff‐Terlingen Madelon H. , Stuffken Rutger , Vreeswijk Ralph , Egberts Toine C. G. , Kalisvaart Kees J.
Published: November 2021

Background

Anticholinergic acting drugs have been associated with delirium in older patients.

Objective

To examine the association between the anticholinergic burden (ACB) and the duration and severity of delirium in older hip‐surgery patients with or without haloperidol prophylaxis.

Methods

Older patients with a postoperative delirium following hip surgery from a randomized controlled trial investigating the effects of haloperidol prophylaxis on delirium incidence were included in this study. The ACB was quantified using two different tools, the Anticholinergic Drug Scale and an Expert Panel. Using linear regression, the association between the ACB and delirium was analyzed.

Results

Overall delirium duration and severity were not significantly associated with the ACB. Also, no statistically significant differences were found in delirium duration or severity between the placebo and haloperidol treatment groups for the ACB groups. The protective effect of haloperidol on delirium duration and severity however tended to be present in patients with no or a low ACB but not or to a lesser extent in patients with an intermediate to high ACB.

Conclusions

The ACB was not significantly associated with delirium duration or severity. Haloperidol prophylaxis tended to shorten delirium duration and decrease delirium severity in patients with no or a low ACB. To further explore the influence of anticholinergic acting drugs on delirium duration and severity and the effect of concomitant haloperidol use, additional research with a higher haloperidol dose, a larger study population, and ACB quantification taking drug exposure into account is warranted.
Stability of psychopathy in a prospective longitudinal study: Results from the Cambridge Study in delinquent development
Authors: Bergstrøm Henriette , Farrington David P.
Published: November 2021

To further understand psychopathy within a Developmental and Life‐Course Criminology perspective, the current article investigates the stability and change in psychopathy from childhood to middle age. The Cambridge Study in delinquent development is a prospective longitudinal study of 411 males, where psychopathy was coded based on contemporanously collected data from young people and in adulthood. Psychopathy in middle age was assessed in a medical interview. The findings indicate a high degree of stability of psychopathy across the life‐course. To explain stability and change, childhood factors that might predict this were investigated. Few factors were related to stability and change across the life‐course. Poor supervision, poor housing, a large family, and having a convicted father were associated with any change. A depressed mother was associated with a later decrease in psychopathy. This investigation has implications not only for the downward extension of psychopathy to childhood, but also for the understanding of the development of criminal and antisocial behavior.
From prostate to the pons: The first reported case of multi‐organ septic emboli and brain empyema from an untreated prostate abscess
Authors: Degener Tyler , Quon Samantha , Holtom Paul , Hsieh Eric
Published: November 2021

Prostate abscesses in developed countries are becoming increasingly less common. Left untreated these abscesses can lead to numerous complications, including some which are very rare.
A rare lung disease diagnosed by CT in a young pregnant woman
Authors: Persad Sunil , Dowlath Nadiya , Prasad Michael , Harry Vanessa
Published: November 2021

Lymphangioleiomyomatosis (LAM) is an unusual lung disease which can be diagnosed by its characteristic appearance on a high‐resolution CT, and may not always require a biopsy.
Hydrogen Productivity Analysis Using Low Concentration of TiO2–Au Nanoparticles on a Ultraviolet‐LED‐Based Photocatalytic Reactors
Authors: Varas-Concha Felipe , Guzmán Diego , Isaacs Mauricio , Sáez-Navarrete César
Published: November 2021

The productivity of photocatalytic hydrogen generation via photo‐reforming of organic compounds has not been studied under low concentrations of catalyst, which could lead to relevant cost savings in future real‐scale applications. Herein, it uses half of the lowest concentration of nanoparticles reported of modified P25 TiO2 partially coated with gold. The nanomaterial is prepared using a non‐energy intensive, chemical reduction method. Gold content on the TiO2 surface is reported (14%—surface; 9.1%—weight). Dynamic light scattering and transmission electron microscope image analyses show low agglomeration and non‐homogeneous shape. Aggregates and gold nanoparticles reach average diameters of 92 and 3.8 nm, respectively. Photocatalytic experiments for hydrogen production are carried out at low concentration of nanoparticles (0.056 g L−1) in methanol–water solution (5%vol.) under 375 nm UV and visible light (20 mW cm−2). The system shows a catalyst productivity of 6661 μmol h−1 g−1, a third of the highest reported productivity using methanol (which used a catalyst concentration 18× higher, an alcohol concentration 5× higher, and 100% anatase). The system shows an estimated reaction rate of 373 μmol L−1 h−1 with an apparent zero order kinetic, an overall energy conversion efficiency of 0.47%, and an apparent quantum yield of 1.03%.
Use of the modified controlled atmosphere cone calorimeter for the assessment of fire effluents generated by burning wood under different ventilation conditions
Authors: Knez F. , Uršič M. , Knez N. , Peeters K. , Franko M. , Zidar P.
Published: November 2021

The ISO 5660‐1 cone calorimeter is an affordable, practical, and commonly used solution for the measurement of main fire properties of products and materials. Among its chief drawbacks is its limited ability to reproduce combustion conditions found in real fires. This deficiency is mainly due to its inability to control oxygen availability in order to simulate an underventilated fire. As several toxic or potentially toxic species are formed primarily in oxygen‐poor conditions, the controlled atmosphere cone calorimeter (CACC), now defined in ISO 5660‐5, is a major improvement when trying to study the toxicity of fire effluents. A proposed additional modification of the CACC via the introduction of chimney sampling ports and oxygen sensors improves the reproducibility and veracity of effluent sampling. This approach allows the implementation of various techniques to sample, collect, and analyze the generated fire effluents. In this study, the experimental set‐up was used to capture fire effluents generated by burning wood under different ventilation conditions. A gas chromatograph coupled with mass spectrometer was used to assess and compare the chemical composition of the collected samples. The results obtained with the new experimental set‐up proved the ability of the system to reproducibly generate fire effluents under various controlled burning circumstances. It could prove useful as a tool in characterizing the toxicity of fire effluents from various materials on a benchtop scale and ultimately contribute data for the numerical modeling of toxicity of fire effluents in real buildings.
Interprofessional team perceptions of a pharmacist‐driven transitional care management program—A qualitative study
Authors: Panjwani Sehrish , Sakely Heather , Chou Kim , Mohan Elizabeth , Grimes Amy Haver
Published: November 2021

Purpose

Transitions of care is a growing area of focus for many institutions, as it is a key risk point during which medication errors can occur. Under the umbrella of transitions of care lies a Centers for Medicare and Medicaid Services (CMS)‐recognized billable service known as transitional care management or TCM. TCM has been linked with decreased medication errors and 30‐day readmission rates compared with standard of care, particularly when a pharmacist is involved. As the latest evidence focuses on patient‐oriented outcomes data, it is imperative to pair that with key qualitative outcomes in order to describe TCM implementation in a complete and pragmatic manner within real‐world practice. Our aim was to evaluate interprofessional team member perceptions of the value of a clinical pharmacist in the TCM process.

Methods

In this qualitative study, we implemented a new clinical pharmacist‐led TCM process within three primary care practices, consisting of nine practice sites. The Pharmacist‐led TRansitions in Interprofessional PriMary CarE (PRIME) research group conducted focus groups to identify perceptions of the value of a clinical pharmacist in an effective TCM process. Three focus groups were conducted involving physicians, clinical staff, and clinical pharmacists. A qualitative thematic analysis was conducted to describe the results.

Results

Thematic analysis revealed five themes: (1) high value for pharmacist accessibility and communication across levels of care, (2) leadership drives successful transitions, (3) medication‐related needs expertly managed, and (4) coordination of identified barriers, and (5) complimentary medical decision‐making.

Conclusions

Focus group participants perceived that integrating clinical pharmacists in the TCM process led to more efficient offices, valuable visit preparation, coordination of identified barriers, and expert management of medication‐related needs. Primary care and geriatric practices should consider integrating clinical pharmacists into their TCM process as they are the vital members of the interprofessional health care team.
An inexpensive density functional theory‐based protocol to predict accurate 19F‐NMR chemical shifts
Authors: Benassi Enrico
Published: November 2021

Thanks to its advantages, 19F‐NMR is an increasingly popular technique for the structural characterization of F‐containing molecules, among which polymers, materials, fluorophores, pharmaceuticals, and so forth. However, the computational calculation of the 19F‐NMR chemical shifts, both for prediction and interpretation of experimental spectra, remains a challenge. In this work a density functional theory (DFT) based protocol for the calculation of the chemical shifts is established within the framework of the gauge‐independent atomic orbital method, upon verifying the performance of Hartree–Fock and 60 DFT functionals coupled with seven different basis sets. The benchmark is conducted using two sets of molecules, namely one used for testing methods and another used for probing; the former set consists of 134 molecules, the latter 50, yet both of them with F in different chemical environments. Following Bally–Rablen–Tantillo strategy, the scaling parameters and other statistical quantities were computed for each method upon least squares linear regression between experimental and computed chemical shifts. The designed computational workflow is computationally inexpensive and represents a significant improvement with respect to the current state of the art.
6‐Shogaol improves behavior and memory in Wistar rats prenatally exposed to lipopolysaccharide
Authors: da Rosa Naiana , de Medeiros Fabiana Durante , de Oliveira Juliana , Laurentino Ana Olívia Martins , Peretti Eduardo Medeiros , Machado Richard Simon , Fortunato Jucélia Jeremias , Petronilho Fabrícia
Published: November 2021

Objective

6‐Shogaol, bioactive compound of Zingiber officinale Roscoe, has anti‐inflammatory, antioxidant, and neuroprotective properties. The objective of the present study was to verify the effect of 6‐shogaol on behavioral parameters in a preclinical model based on a maternal immune activation (MIA) by lipopolysaccharide (LPS).

Methodology

Twelve pregnant Wistar rats received 100‐μg/kg LPS or saline solution on gestational day (GD) 9.5. Male offspring participated in the study and in the postnatal day (PND) 30 and 55 were supplemented with 6‐shogaol or saline solution, by gavage at a dose of 10 mg/kg/day, orally for 5 days. In the PND 35 and 60 was performed the behavioral tests: grooming, crossing, and rearing that evaluated repetitive movements, anxiety, and interest in the new, respectively, and the inhibitory avoidance test that evaluated short‐term (STM) and long‐term memory (LTM).

Result

Prenatal exposure to LPS increased the grooming and crossing episodes at different ages and reduced rearing episodes in PND 37. Treatment with 6‐shogaol reversed these parameters. In the inhibitory avoidance test, an improvement of memory was identified with 6‐shogaol in the STM and LTM at both ages comparing training and test session of treated groups and between groups.

Conclusion

Administration of 6‐shogaol reverses the stereotypy, exploratory behavior, and memory impairment in prenatal LPS‐exposed offspring, acting as a promising therapeutic component against brain disorders associated with the process of MIA.
Factors associated with mechanical ventilation in SARS‐CoV‐2 patients treated with high‐flow nasal cannula oxygen and outcomes
Authors: Leroux Xavier , Schock Maud , Augereau Olivier , Lessire Henry , Bouterra Charles , Belilita Lounis , Rerat Pierre , Alvarez Antonio , Martinot Martin , Gerber Victor
Published: November 2021

Five percent of patients infected with SARS‐CoV‐2 require advanced respiratory support. The high‐flow nasal cannula oxygenotherapy (HFNCO) appears to be effective and safe to reduce the need for mechanical ventilation. However, the factors associated with HFNCO failure as well as the outcomes of patients receiving this noninvasive respiratory strategy remain unclear. Thus, we performed this study to determine factors leading to intubation of SARS‐CoV‐2 patients treated with HFNCO and patients’ outcomes. We retrospectively analyzed the medical charts of patients admitted in our ICU center for acute respiratory failure due to SARS‐CoV‐2 infection and who initially benefited from HFNCO, between September 1, 2020, and March 1, 2021. We included all adults patients who received HFNCO and compared two groups: those treated with HFNCO alone and those who failed HFNCO. Patients treated with HFNCO and secondarily limited to the use of mechanical ventilation were excluded from the analysis. Sixty‐nine patients were included, 33 were treated with HFNCO alone and 36 failed HFNCO. We found more patients with shock in the HFNCO failure group (p = 0.001). The mean IGSII score was higher in the HFNCO failure group (p < 0.001). The minimum PaO2/FiO2 was lower in the HFNCO failure group (p = 0.024). The length of stay in ICU was higher in the HFNCO failure group (p < 0.001). The mean duration of HFNCO before intubation was 1.77 days. Six‐week mortality was higher in the HFNCO failure group (p = 0.034). Ten patients had a complication during intubation. The HFNCO leads to reduce the intubation rate, the length of stay in ICU, and the mortality. Determining the factors associated with HFNCO failure is important to avoid complications following late intubation.
Analysis by real‐time PCR of five transport and conservation mediums of nasopharyngeal swab samples to COVID‐19 diagnosis in Santiago of Chile
Authors: Barrera‐Avalos Carlos , Luraschi Roberto , Vallejos‐Vidal Eva , Figueroa Maximiliano , Arenillas Esteban , Barría Daniela , Hernández Felipe , Mateluna Carlos , Mena Javier , Rioseco Claudia , Torrent Claudia , Vergara Claudio , Gutiérrez Gaby , Quiroz Javiera , Alarcón Javiera , Cartagena Julio , Cayunao Javiera , Mella‐Torres Andrea , Santibañez Álvaro , Tapia Sebastián , Undurraga Alejandro , Vargas Deborah , Wong Valentina , Inostroza‐Molina Ailen , Valdés Daniel , Imarai Mónica , Acuña‐Castillo Claudio , Reyes‐López Felipe E. , Sandino Ana M.
Published: November 2021

Due to the COVID‐19 pandemic, many transport kits have been manufactured to preserve and transport nasopharyngeal swab samples (NPSs) from patients. However, there is no information on the performance of the different virus transport media (VTM) used in COVID‐19 diagnosis in the population of Santiago de Chile. We compared the RT‐qPCR amplification profile of five different viral transport kit mediums, including DNA/RNA Shield™, NAT, VTM‐N, Ezmedlab™, and phosphate‐buffered saline (PBS), for NPSs from Central Metropolitan Health Service, Santiago, Chile. The DNA/RNA Shield™ medium showed a better performance in terms of Cq and RFU values for the internal reference RNase P and viral ORF1ab probes. By contrast, the PBS transport medium registered higher Cq values for the viral and reference gene, compared to the other VTM. DNA/RNA Shield™ shows higher relative fluorescence units (RFUs) and lower Cq values for the reference gene. Collectively, our results suggest that the PBS medium could compromise the sample diagnosis because of its lower RT‐qPCR performance. The NAT, Ezmedlab and VTM‐N, and DNA/RNA Shield™ media show acceptable RT‐qPCR parameters and, consequently, seem suitable for use in COVID‐19 diagnosis.
The performance of water‐soluble fluoride transformation in soil–tea–tea infusion chain system and the potential health risk assessment
Authors: Sun Hua , Wen Bo , Wu Zichen , Xing Anqi , Xu Xiaohan , Chang Yali , Guo Guiyi , Wang Yuhua
Published: November 2021

BACKGROUND

Water‐soluble fluoride (WS‐F) can be absorbed directly by tea plants from soil and comprises a major source of dietary F in tea consumers. To reveal the WS‐F accumulation in tea leaves and assess WS‐F health risks, 70 sets of samples including tea leaves at three maturity stages and corresponding topsoil were collected from Xinyang, China. The WS‐F contents in tea samples and pH values in soil samples were determined.

RESULTS

The contents of WS‐F in tea leaves exhibited a positive correlation with leaf maturity. The contents of WS‐F in tea leaves showed a positive correlation with WS‐F contents in the soil as the soil pH value exceeds 5. All the bud with two leaves samples, 84.29% of the third to sixth leaves samples, and 78.57% mature leaves samples in 5‐min infusion tend to be no health threat. The leaching characteristics of WS‐F from tea leaves were influenced by the leaf maturity and soaking time.

CONCLUSION

Taking measures to control pH and WS‐F concentration of plantations soil, as well as drinking tea infusion made from young leaves or reducing soaking time could decrease the WS‐F health risk. © 2021 Society of Chemical Industry.
RAFT Polymerization of 2‐(tert‐Butoxycarbonyloxy)Ethyl Methacrylate and Transformation to Functional Polymers via Deprotection and the Subsequent Polymer Reactions
Authors: Jing Chu , Osada Kaito , Kojima Chie , Suzuki Yasuhito , Matsumoto Akikazu
Published: November 2021

Reversible addition–fragmentation chain transfer (RAFT) polymerization of 2‐(tert‐butoxycarbonyloxy)ethyl methacrylate (BHEMA) is carried out using 4‐cyano‐4‐((dodecylsulfanylthiocarbonyl)sulfanyl)pentanoic acid as the RAFT agent. The polymers with a controlled molecular weight and polydispersity are produced when a large amount of the RAFT agent is used. The RAFT polymerization of isobutyl methacrylate is also carried out using poly(2‐(tert‐butoxycarbonyloxy)ethyl methacrylate) (PBHEMA) as the macro‐RAFT agent in order to synthesize diblock copolymers with a narrow molecular weight distribution. It is revealed that the control of the polymerization of BHEMA is achieved under limited polymerization conditions. Then, the acid‐catalyzed deprotection of tert‐butoxycarbonyloxy groups of PBHEMA is performed in the presence of trifluoroacetic acid at room temperature to obtain polymers with a hydroxy group in the side chain. The hydroxy‐containing polymers are further reacted with 2‐isocyanatoethyl acrylate and methacrylate to synthesize precursor polymers used for a thermally curing system.
A closed‐loop supply chain decision model considering corporate social responsibility and value‐added services
Authors: Gong Ruifeng , Xue Jian , Liu Ruli , Zhou Jinhua , Zhao Laijun
Published: November 2021

This paper by comparing the decision results in three closed‐loop supply chain (CLSC) cases, to explore the effects of corporate social responsibility (CSR) and value‐added service on the mechanism of stakeholders' decision making. The results show that CSR and value‐added services play significant roles in the optimal decisions of different individuals. The improvement of the value‐added service level is conducive to increasing the demand and the recovery rate, thereby promoting the profitability of the supply chain and social welfare. However, the effect of value‐added services on the performance of stakeholders strictly depends on the degree of CSR. Our numerical results provide insights into social welfare improvement.
Additive manufactured spherical resonator V‐band elliptical waveguide filter
Authors: Liu Wenbo , Huff Gregory
Published: November 2021

The design of an additively manufactured V‐band bandpass filter is proposed using spherical resonators with elliptical waveguides feeds. Compared with the traditional rectangular form, the curvilinear architecture seeks to mitigate corner radius effects in both the electromagnetic performance and additive manufacturing process. The filter and calibration components required for measurement are printed as single structures and then electroless silver plated using a closed‐loop bidirectional pump‐driven fluidic system. Simulated and measured results are provided.
A promising sustainable PHB‐ZnO composite for development of biodegradable filaments
Authors: Silva Nycolle G. S. , Zanini Noelle C. , Barbosa Rennan F. S. , de Souza Alana G. , Medeiros Simone F. , Rosa Derval S. , Mulinari Daniella R.
Published: November 2021

The development of new biodegradable composites with superior properties is an attractive approach to develop environmentally friendly materials with new potential applications. In this work, we prepared and characterized PHB filaments with different concentrations of ZnO particles (from 0.5 up to 16 wt%) to evaluate this mixture's effect on the physico‐chemical, thermal properties, and morphological biofilament characteristics. The FTIR and Raman results indicated a possible chemical interaction between the ZnO and PHB, altering the helical polymeric and crystalline structure. The ZnO particles increased the composites' thermal stability, mainly at higher filler contents, confirmed by Tonset and the thermal resistance index, associated with the interface between the particles and the PHB matrix. Also, DSC results indicated that higher ZnO contents increased the PHB amorphous characteristic, which facilitates its use as filaments. The microscopies allowed the evaluation of composites' morphology and indicated good filler dispersion and homogeneity, and the filament diameters were adequate to the FDM 3D printing technique. SEM‐EDS confirmed ZnO presence at filament structure, which probably stabilized the PHB matrix during the extrusion process and allowed the printing process for the PHB‐0.5%ZnO filaments into scaffolds, showing the potential application in additive manufacturing processes. These findings may expand PHB applications combining ZnO properties to develop functional and active materials for biomedical and packaging applications.
Extraction and characterization of natural cellulosic fiber from fragrant screw pine prop roots as potential reinforcement for polymer composites
Authors: Selvan Martin Thangaraj Gerald Arul , Binoj Joseph Selvi , Moses Jacob Thambi Evans Jebeen , Sai Nara Prem , Siengchin Suchart , Sanjay Mavinkere Rangappa , Liu Yucheng
Published: November 2021

Biodegradable natural plant fiber isolated from the prop roots of fragrant screwpine (FSP) plant has been thoroughly studied as a potential replacement for artificial fiber in light weight bio‐based composite applications. Chemical, physical, Fourier transform infrared spectroscopy, X‐ray diffraction, scanning electron microscopy, differential scanning calorimetry, and thermo gravimetric studies were used to determine the appropriateness of FSP fiber for use as a novel reinforcement. FSP fibers were determined to have a density of 1.3852 g/cm3 and a diameter of 27–280 μm respectively. Good specific strength and bonding qualities are provided by a high cellulose content (73.10 wt%) and a low wax content (0.35 wt%). The tensile strength of raw FSP fiber was 915 ± 195 MPa, the young's modulus was 33 ± 12 GPa, and the average strain to failure rate was 4.59 ± 2.17%. Thermal analysis (TG and DTG) confirmed FSP fiber's thermal stability up to 235°C. The findings revealed that FSP fiber (FSPF) is an excellent alternative for constructing polymer‐based bio‐composites and other high‐value products with both technical and environmental requirements.
Effects of Hochuekkito, a traditional Japanese medicine (Kampo), on reproduction of aging female mice
Authors: Vo Kim Cat Tuyen , Sato Yorino , Kawagoe Yuta , Kawamura Kazuhiro
Published: November 2021

Purpose

To determine the potentials of Hochuekkito (HET) treatment for aging infertility.

Methods

Mice at 36 weeks of age were fed without (control, n = 40) or with low (100 mg/kg/day, n = 24) and high (1000 mg/kg/day, n = 38) doses of HET for 12 weeks. Aging animals at 48 weeks of age were used for in vitro fertilization‐embryo transfer (IVF‐ET), and their ovaries were subjected to histological and quantitative inflammation analyses.

Results

HET administration decreased transcript levels of ovarian inflammatory markers, interleukin 6 (IL‐6), IL‐1β, tumor necrosis factor (TNF)‐α, and interferon‐gamma (IFN‐γ) but suppressed ovulation rates and the number of ovulated oocytes in aging mice. Furthermore, HET treatment decreased the rates of oocytes maturation and fertilization and the cumulus‐cell expression of TNF‐α‐induced protein 6 and epidermal growth factor receptor. After IVF‐ET, no improvement of declined live offspring rate by aging was achieved by HET administration, although there were no adverse effects on embryo development and implantation as well as gross morphology and bodyweight of pups.

Conclusion

Present study indicated HET treatment interfered with ovulation and fertilization in aging mice without affecting ovarian follicle development. No improvement on the age‐associated decline of live offspring rate and follicle development was achieved after HET treatment.
Copper(II) Acetylacetonate/Tetrabutylammonium Hydrogen Sulfate: A New System for Decarboxylation of Aromatic Carboxylic Acids under Amine‐Free Conditions
Authors: Yousefi Reza , Hosseini Abolfazl , Tajbakhsh Mahmood
Published: November 2021

A new system for decarboxylation of aromatic carboxylic acids under amine‐free conditions has been developed. In situ generated copper nanoparticles (Cu NPs) stabilized by tetrabutylammonium hydrogen sulfate (TBAHS) were found to catalyze the decarboxylation of aromatic carboxylic acids under amine‐free conditions. Ortho‐substituted benzoic acids bearing electron‐deficient and electron‐rich groups were effectively decarboxylated under these conditions whereas meta‐ and para‐substituted benzoic acids were less reactive and gave moderate yields of desired decarboxylated products.
Comprehensive Overview of Progress in Functionalization of 2‐Pyridone and 2, 4 ‐Dihydroxy Pyridine: Key Constituents of Vital Natural Products
Authors: Yadav Neelam , Sangwan Sarita , Kumar Ravi , Chauhan Sonu , Duhan Anil , Singh Ajay , Arya Rajesh K.
Published: November 2021

Nitrogen heterocycles have found a key role in biologically active natural products. Pyridones, specifically 2‐pyridone and 2,4‐dihydoxypyridine are an extensive class of compounds with reported occurrence in many natural products. Therefore, the methods for generation of functionalized pyridones are of great interest since their discovery. From traditional coupling to transition metal catalyzed C−H functionalization and transition metal free C−H functionalization, this field has witnessed enormous growth. In the present review, we aim to present a comprehensive overview of pyridone functionalization for young researchers and invite the scientific community to come up with more environment friendly, economic and transition metal free methodologies for corresponding functionalizations.
Studies on the Antioxidant and Antibacterial Activities of In Situ Green Synthesized Graphene‐Gold Nanocomposite
Authors: Kurmarayuni Chandra Mohan , Chandu Basavaiah , Yangalasetty Lakshmi Prasanna , Gali Siva Jyothsna , Khandapu Bala Murali Krishna , Bollikolla Hari Babu
Published: November 2021

The current protocol is focused on the fabrication and applications of gold nanoparticles (Au NPs) distributed on graphene sheets with an emphasis on green synthesis using Kigelia Africana (KA) stem extract. The reducing and stabilizing molecules present in the stem of the KA plant were involved in the transformation of metal ions and graphene oxide in to metal nanoparticles anchored on to reduced graphene oxide sheets. Thus, the obtained graphene‐gold nanocomposite was investigated using sophisticated characterization techniques such as UV‐Visible, Infra‐Red, XRD, Raman, SEM and HRTEM techniques. All these techniques proved the formation of graphene‐gold nanocomposite with the characteristic spectroscopic peaks of graphene and gold. The graphene‐gold nanocomposite exhibited superior antioxidant activity than ascorbic acid standard thus finds medical application as a potential antioxidant agent. Moreover, the nanocomposite also showed good antibacterial activity against five pathogens. These results suggest that the in situ green synthesized graphene‐gold nanocomposite can be used as efficient antibacterial and antioxidants for controlling pathogenic microbes.
Anti‐Stokes Fluorescence and Nonlinear Optical Properties of the Functionalized Phenoxazine‐based Dye: A computational study
Authors: Kariyottu Kuniyil Muhammed Jeneesh , Padmanaban Ramanathan
Published: November 2021

Tuning of electronic, photophysical and nonlinear optical (NLO) properties of the phenoxazin‐3‐one dye, resazurin (Rz), is here attempted through functionalization by employing the electron‐donating and electron‐withdrawing groups. Density functional theory (DFT) and time‐dependent DFT calculations were performed for the purpose. Examining the absorption‐emission spectra, featuring an intense band (ππ*) followed by a weak band (nπ*), of the functionalized dye derivatives reveal the Stokes shift, and relatively a large shift is found for the cyano‐functionalized Rz molecules. Surprisingly, the 2‐mono‐cyanoresazurin shows the anti‐Stokes fluorescence (ASF) emission induced by the hot‐band absorption, and at the other end, the weak absorption band associated to the charge transfer nπ* transition of the nitro‐functionalized molecules is being quenched. Radiative lifetime analysis infers that the pull‐type functionalized molecules decay slowly whereas the push‐type shows the high emission rate. The structure‐property relations between the molecular parameters were also discussed. Tuning the NLO properties infers that the pull‐type group exhibits significantly high hyperpolarizabilities (for cyano‐) whereas the push‐type exhibits relatively small β‐value (for amino‐) when compared the standard NLO molecule. Here, the tetra‐functionalized‐Rz molecules may act as promising candidates for NLO applications, and also probing their ASF emission further unfolds the bio‐applications.
Green Catalyst‐ and Additive‐Free Three‐Component Deamination Cyclization Synthesis of 3‐Substituted‐4‐ oxo‐2‐quinazolinonyl Sulfides
Authors: Zheng Lvyin , Xie Zhen , Cai Liuhuan , Liu Gongping , Mei Weijie , Zou Xiaoying , Zhuo Xiaoya , Fan Xiaolin , Guo Wei
Published: November 2021

An efficient three‐component deamination annulation of 2‐aminobenzamides, isothiocyanates and alkyl bromides for the synthesis of valuable 3‐substituted‐4‐oxo‐2‐quinazolinonyl sulfides is reported. The reaction proceeds in the absence of any external catalysts and additives. The facile process has the advantages of broad substrate scopes, mild reaction conditions and environmental friendliness, which might provide the synthetic applications for 3‐substituted‐4‐oxo‐2‐quinazolinonyl sulfides as potential anti‐cancer agents in medicinal chemistry.
Total Synthesis of Elmenols A and B and Related Rearranged Angucyclinones
Authors: Ikonnikova Viktoria A. , Solyev Pavel N. , Terekhov Stanislav S. , Alferova Vera A. , Tyurin Anton P. , Korshun Vladimir A. , Baranov Mikhail S. , Mikhaylov Andrey A.
Published: November 2021

A synthetic approach towards rearranged angucyclinones related to Elmenols A and B and their synthetic derivatives has been developed. Carbon skeleton is constructed in a straightforward manner by directed o‐lithiation of m‐anisaldehyde dimethyl acetal and its further nucleophilic addition to properly substituted naphthalene carbaldehydes. The latter can be achieved via several alternative synthetic schemes, the most efficient of them are discussed herein.
Recent Progress of Organic–Inorganic Hybrid Perovskites in RRAM, Artificial Synapse, and Logic Operation
Authors: Zhang Cheng , Li Yang , Ma Chunlan , Zhang Qichun
Published: November 2021

Organic–inorganic hybrid perovskites (OHPs) with a rich reservoir of distinct physical attributes have been considered as promising resistive switching materials for next‐generation electronic devices, including resistive random‐access memory (RRAM) devices, artificial synapses, and logic operation. In this review, we first briefly introduce the structural and photoelectronic properties of OHPs materials, followed by elaborating the typical lateral/vertical device architectures and commonly‐used device fabrication technologies. Secondly, recent progress of OHPs in three categories of RRAM, artificial synapses, and logic operation, including various materials design, outstanding electrical behaviors, and multifunctional applications, are well discussed. Besides, the operational mechanisms and performance improvement strategies are summarized in a recapitulative way. Finally, current challenges and future development prospects of OHPs‐based devices are demonstrated to provide a better guideline for the next‐generation technical revolution. This review offers an encouraging recognition that OHPs hold immense expectation to keep up with the upcoming big‐data and artificial intelligence era.
Quantum imprints of gravitational shockwaves
Authors: Gray Finnian , Kubizňák David , May Taillte , Timmerman Sydney , Tjoa Erickson
Published: November 2021

Abstract

Gravitational shockwaves are simple exact solutions of Einstein equations representing the fields of ultrarelativistic sources and idealized gravitational waves (shocks). Historically, much work has focused on shockwaves in the context of possible black hole formation in high energy particle collisions, yet they remain at the forefront of research even today. Representing hard modes in the bulk, shocks give rise to the gravitational memory effect at the classical level and implant supertranslation (BMS) hair onto a classical spacetime at the quantum level. The aim of this paper is to further our understanding of the ‘information content’ of such supertranslations. Namely, we show that, contrary to the several claims in the literature, a gravitational shockwave does leave a quantum imprint on the vacuum state of a test quantum field and that this imprint is accessible to local observers carrying Unruh-DeWitt (UDW) detectors in this spacetime.
Extensive allele mining discovers novel genetic diversity in the loci controlling frost tolerance in barley
Authors: Guerra Davide , Morcia Caterina , Badeck Franz , Rizza Fulvia , Delbono Stefano , Francia Enrico , Milc Justyna Anna , Monostori Istvan , Galiba Gabor , Cattivelli Luigi , Tondelli Alessandro
Published: November 2021

Key message

Exome sequencing-based allele mining for frost tolerance suggests HvCBF14 rather than CNV at Fr-H2 locus is the main responsible of frost tolerance in barley.

Wild relatives, landraces and old cultivars of barley represent a reservoir of untapped and potentially important genes for crop improvement, and the recent sequencing technologies provide the opportunity to mine the existing genetic diversity and to identify new genes/alleles for the traits of interest. In the present study, we use frost tolerance and vernalization requirement as case studies to demonstrate the power of allele mining carried out on exome sequencing data generated from > 400 barley accessions. New deletions in the first intron of VRN-H1 were identified and linked to a reduced vernalization requirement, while the allelic diversity of HvCBF2a, HvCBF4b and HvCBF14 was investigated by combining the analysis of SNPs and read counts. This approach has proven very effective to identify gene paralogs and copy number variants of HvCBF2 and the HvCBF4b-HvCBF2a segment. A multiple linear regression model which considers allelic variation at these genes suggests a major involvement of HvCBF14, rather than copy number variation of HvCBF4b-HvCBF2a, in controlling frost tolerance in barley. Overall, the present study provides powerful resource and tools to discover novel alleles at relevant genes in barley.
Typical Circulation Patterns and Associated Mechanisms for Persistent Heavy Rainfall Events over Yangtze-Huaihe River Valley during 1981–2020
Authors: Wang Huijie , Sun Jianhua , Fu Shenming , Zhang Yuanchun
Published: November 2021

Persistent heavy rainfall events (PHREs) over the Yangtze–Huaihe River Valley (YHRV) during 1981–2020 are classified into three types (type-A, type-B and type-C) according to pattern correlation. The characteristics of the synoptic systems for the PHREs and their possible development mechanisms are investigated. The anomalous cyclonic disturbance over the southern part of the YHRV during type-A events is primarily maintained and intensified by the propagation of Rossby wave energy originating from the northeast Atlantic in the mid–upper troposphere and the northward propagation of Rossby wave packets from the western Pacific in the mid–lower troposphere. The zonal propagation of Rossby wave packets and the northward propagation of Rossby wave packets during type-B events are more coherent than those for type-A events, which induces eastward propagation of stronger anomaly centers of geopotential height from the northeast Atlantic Ocean to the YHRV and a meridional anomaly in geopotential height over the Asian continent. Type-C events have “two ridges and one trough” in the high latitudes of the Eurasian continent, but the anomalous intensity of the western Pacific subtropical high (WPSH) and the trough of the YHRV region are weaker than those for type-A and type-B events. The composite synoptic circulation of four PHREs in 2020 is basically consistent with that of the corresponding PHRE type. The location of the South Asian high (SAH) in three of the PHREs in 2020 moves eastward as in the composite of the three types, but the position of the WPSH of the four PHREs is clearly westward and northward. Two water vapor conveyor belts and two cold air conveyor belts are tracked during the four PHREs in 2020, but the water vapor path from the western Pacific is not seen, which may be caused by the westward extension of the WPSH.
Post-injury ventricular enlargement associates with iron in choroid plexus but not with seizure susceptibility nor lesion atrophy—6-month MRI follow-up after experimental traumatic brain injury
Authors: Yasmin Amna , Pitkänen Asla , Andrade Pedro , Paananen Tomi , Gröhn Olli , Immonen Riikka
Published: November 2021

Ventricular enlargement is one long-term consequence of a traumatic brain injury, and a risk factor for memory disorders and epilepsy. One underlying mechanisms of the chronic ventricular enlargement is disturbed cerebrospinal-fluid secretion or absorption by choroid plexus. We set out to characterize the different aspects of ventricular enlargement in lateral fluid percussion injury (FPI) rat model by magnetic resonance imaging (MRI) and discovered choroid plexus injury in rats that later developed hydrocephalus. We followed the brain pathology progression for 6 months and studied how the ventricular growth was associated with the choroid plexus injury, cortical lesion expansion, hemorrhagic load or blood perfusion deficits. We correlated MRI findings with the seizure susceptibility in pentylenetetrazol challenge and memory function in Morris water-maze. Choroid plexus injury was validated by ferric iron (Prussian blue) and cytoarchitecture (Nissl) stainings. We discovered choroid plexus injury that accumulates iron in 90% of FPI rats by MRI. The amount of the choroid plexus iron remained unaltered 1-, 3- and 6-month post-injury. During this time, the ventricles kept on growing bilaterally. Ventricular growth did not depend on the cortical lesion severity or the cortical hemorrhagic load suggesting a separate pathology. Instead, the results indicate choroidal injury as one driver of the post-traumatic hydrocephalus, since the higher the choroid plexus iron load the larger were the ventricles at 6 months. The ventricle size or the choroid plexus iron load did not associate with seizure susceptibility. Cortical hypoperfusion and memory deficits were worse in rats with greater ventricular growth.
European clinical guidelines for Tourette syndrome and other tic disorders—version 2.0. Part III: pharmacological treatment
Authors: Roessner Veit , Eichele Heike , Stern Jeremy S. , Skov Liselotte , Rizzo Renata , Debes Nanette Mol , Nagy Péter , Cavanna Andrea E. , Termine Cristiano , Ganos Christos , Münchau Alexander , Szejko Natalia , Cath Danielle , Müller-Vahl Kirsten R. , Verdellen Cara , Hartmann Andreas , Rothenberger Aribert , Hoekstra Pieter J. , Plessen Kerstin J.
Published: November 2021

In 2011, the European Society for the Study of Tourette Syndrome (ESSTS) published the first European guidelines for Tourette Syndrome (TS). We now present an update of the part on pharmacological treatment, based on a review of new literature with special attention to other evidence-based guidelines, meta-analyses, and randomized double-blinded studies. Moreover, our revision took into consideration results of a recent survey on treatment preferences conducted among ESSTS experts. The first preference should be given to psychoeducation and to behavioral approaches, as it strengthens the patients’ self-regulatory control and thus his/her autonomy. Because behavioral approaches are not effective, available, or feasible in all patients, in a substantial number of patients pharmacological treatment is indicated, alone or in combination with behavioral therapy. The largest amount of evidence supports the use of dopamine blocking agents, preferably aripiprazole because of a more favorable profile of adverse events than first- and second-generation antipsychotics. Other agents that can be considered include tiapride, risperidone, and especially in case of co-existing attention deficit hyperactivity disorder (ADHD), clonidine and guanfacine. This view is supported by the results of our survey on medication preference among members of ESSTS, in which aripiprazole was indicated as the drug of first choice both in children and adults. In treatment resistant cases, treatment with agents with either a limited evidence base or risk of extrapyramidal adverse effects might be considered, including pimozide, haloperidol, topiramate, cannabis-based agents, and botulinum toxin injections. Overall, treatment of TS should be individualized, and decisions based on the patient’s needs and preferences, presence of co-existing conditions, latest scientific findings as well as on the physician’s preferences, experience, and local regulatory requirements.
Core Eigenmodes and their Impact on the Earth’s Rotation
Authors: Triana Santiago A. , Dumberry Mathieu , Cébron David , Vidal Jérémie , Trinh Antony , Gerick Felix , Rekier Jérémy
Published: November 2021

Changes in the Earth’s rotation are deeply connected to fluid dynamical processes in the outer core. This connection can be explored by studying the associated Earth eigenmodes with periods ranging from nearly diurnal to multi-decadal. It is essential to understand how the rotational and fluid core eigenmodes mutually interact, as well as their dependence on a host of diverse factors, such as magnetic effects, density stratification, fluid instabilities or turbulence. It is feasible to build detailed models including many of these features, and doing so will in turn allow us to extract more (indirect) information about the Earth’s interior. In this article, we present a review of some of the current models, the numerical techniques, their advantages and limitations and the challenges on the road ahead.
Amelioration of Neuropathic Pain and Attenuation of Neuroinflammation Responses by Tetrahydropalmatine Through the p38MAPK/NF-κB/iNOS Signaling Pathways in Animal and Cellular Models
Authors: Hu Cheng , He Menglin , Chen Meijuan , Xu Qian , Li Sha , Cui Yaomei , Qiu Xizi , Tian Weiqian
Published: November 2021

Abstract—

Neuropathic pain (NP) treatment remains a challenge because the pathomechanism is not yet fully understood. Because of low treatment efficacy, there is an important unmet need in neuropathic pain patients, and the development of a more effective pharmacotherapy is urgently required. Neuroinflammation induced by oxidative stress-mediated activation of nuclear factor-kappa B (NF-κB) plays an important role in NP. In this study, we aimed to investigate the protective properties of tetrahydropalmatine (THP) on a spared nerve injury (SNI) model of neuropathic pain in mice in in vivo and also in in vitro experiments. THP decreased mechanical hyperalgesia and cold allodynia compared with the SNI group. A microarray was applied to analyze differentially expressed of mRNA among different groups, and THP noticeably changed the expression of MAPK-related proteins compared with the SNI groups. H&E staining showed that the THP changed the inflammation after the spared nerve injury, with decreased NO expression in the THP group as compared to the SNI group. In addition, SNI-induced pain was reversed by intraperitoneal administration of THP, and further results indicated that THP suppressed inducible nitric oxide synthase (iNOS, pro-nociceptive mediators), phosphorylated MAPKs, and p65 in the dorsal root ganglions and sciatic nerve, while the serum levels of the pro-inflammatory cytokines IL-1β were significantly higher in the SNI group as compared to the THP group. To identify the molecular mechanism of the antineuropathic activity of THP, sodium nitroprusside (SNP)-induced neuro-2a (N2a) cells, LPS-induced BV2 cells, and LTA-induced astrocytes were further investigated in signaling pathways. In vitro experiments indicated that THP suppressed the expression of IL-1β, iNOS, phosphorylated MAPKs, and p65, which were assayed using western blotting, and immunofluorescence.
Natural hazards and climate change are not drivers of disasters
Authors: Ismail-Zadeh Alik
Published: November 2021

Many nations face challenges in assessing, understanding, and responding to the time-dependent nature of disaster risk. Changes in the intensity of occurrences of extreme events coupled with changes in vulnerability and exposure alter the impacts of natural hazards on society in mostly negative ways. Here an interrelationship between natural hazard (NH), climate change (CC), vulnerability (V), exposure (E), and decisionmaking (DM) is considered. While NHs trigger disasters and CC is likely to intensify occurrences of disasters, V and E present major drivers of disasters. Informed DM on disaster risk reduction should be based on scientific evidence from NH and CC, knowledge of V and E, and relevant options for actions on preventive disaster measures as a part of preparedness and public awareness.