bluuebunny/crossref_metadata_2025 huggingface dataset:
Antioxidants (selenium and garlic) alleviated the adverse effects of tramadol on the reproductive system and oxidative stress markers in male rabbits
Authors: Sheweita Salah A. , El-dafrawi Yassmin A. , El-ghalid Osama A. , Ghoneim Alaa A. , Wahid Ahmed
Published: August 2022

Tramadol has been used by millions of patients as an analgesic drug to relief the severe pain caused by cancers and other diseases. The current study aimed to investigate the protective effects of antioxidants (garlic and selenium) against the toxic effects of tramadol on semen characteristics, steroid hormones, the protein expressions of different cytochrome P450 isozymes [CYP 21A2, CYP 19, and 11A1], and on antioxidant enzyme activities in testes of rabbits. Western immunoblotting, spectrophotometric, and histological methods were used in this study. Tramadol (1.5 mg/kg body weight) was administered orally to male rabbits for up to three months (three times/week), and after pretreatment of rabbits with garlic (800 mg/kg) and/or selenium (1 mg/kg body weight) by 2 h. The present study showed that motilities, semen volumes, morphologies, sperm counts, testosterone, and estrogen levels were significantly decreased after 4, 8, and 12 weeks of tramadol treatment. In addition, the protein expressions of CYP 21A2, CYP 19, and 11A1 were down-regulated in the testes of the tramadol-treated rabbits. On the other hand, pretreatment of rabbits with garlic, selenium, and/or garlic-selenium for 2 h before administration of tramadol restored the downregulated CYP 21A2 and 11A1 to their normal levels after 12 weeks of tramadol treatment. Activities of antioxidant enzymes including glutathione reductase, glutathione peroxidase, glutathione S-transferase, catalase, superoxide dismutase, and levels of glutathione were inhibited in the testes of tramadol-treated rabbits. On the other hand, free radical levels were significantly increased in the testes of tramadol-treated rabbits for 12 weeks. Interestingly, such changes in the activities of antioxidant enzymes as well as free radical levels caused by tramadol were restored to their normal levels in the rabbits pretreated with either selenium, garlic, and/or their combination. Histopathological investigations showed that tramadol caused substantial vacuolization with the presence of damaged immature spermatozoid in the testes. However, selenium and garlic treatments showed an increase in healthy sperm production with normal mitotic and meiotic divisions. The present study illustrated for the first time the mechanisms of low steroid hormone levels in the testes of tramadol-treated rabbits which could be due to the downregulation of CYPs proteins, induction of oxidative stress, and inhibition of antioxidant enzyme activities. In addition, the present data showed that such toxic effects of tramadol were attenuated and restored to their normal levels after pretreatment of rabbits with garlic, selenium, and/or their combination. This finding may pave the way for a new approach to reducing the toxicity of tramadol.
Cervical cancer prognosis and related risk factors for patients with cervical cancer: a long-term retrospective cohort study
Authors: Li Jina , Liu Gaoming , Luo Jiayou , Yan Shipeng , Ye Ping , Wang Jie , Luo Miyang
Published: August 2022

This study aims to explore the recurrence rate and overall survival for patients with cervical cancer after the first treatment and the related risk factors. A retrospective cohort study was conducted on cervical cancer patients enrolled in a cancer specialist hospital in Hunan Province, China from January 1992 to December 2005 and followed up until December 2010. Kaplan–Meier survival analysis was used to estimate the cumulative recurrence rate, and Cox proportional hazards model was utilized to identify risk factors associated with prognosis. A total of 4358 patients were enrolled with a median follow-up of 7.4 years (range 5–19 years), and 372 (8.5%) patients had cancer recurrence. The cumulative recurrence rate showed a rapid increase from 3.8% in the first year after discharge to 8.0% in the fifth year, and the recurrence rate remained relatively stable afterward reaching 9.7% and 10.8% in the 10th and the 15th year, respectively. The median time to recurrence was 15.5 months with an IQR of 5.5–40.0 months. The Cox regression showed that miscarriage, clinical stage, and treatment received were significantly associated with cervical cancer recurrence after adjustment for confounders. Patients with recurrence showed a significantly higher risk for mortality than those without recurrence (HR 2.79, 95% CI 2.42–3.22). This study depicted the long-term recurrence rate and survival after recurrence for patients with cervical cancer after the first treatment, and reported time to recurrence and risk factors related to recurrence. These findings may provide important evidence for designing targeted interventions for the treatment of cervical cancer.
Association between prognostic factors and the clinical deterioration of preterm neonates with necrotizing enterocolitis
Authors: Ibrohim Ibnu Sina , Pratama Henggar Allest , Fauzi Aditya Rifqi , Iskandar Kristy , Agustriani Nunik , Gunadi
Published: August 2022

Necrotizing enterocolitis (NEC) is responsible for most morbidity and mortality in neonates. Early recognition of the clinical deterioration in newborns with NEC is essential to enhance the referral and management and potentially improve the outcomes. Here, we aimed to identify the prognostic factors and associate them with the clinical deterioration of preterm neonates with NEC. We analyzed the medical records of neonates with NEC admitted to our hospital from 2016 to 2021. We ascertained 214 neonates with NEC. The area under the receiver operating characteristic (ROC) curve and cut-off level of age at onset, C-reactive protein (CRP), leukocyte count, and platelet count for the clinical deterioration of preterm neonates with NEC was 0.644 and 10.5 days old, 0.694 and 4.5 mg/L, 0.513 and 12,200/mm3, and 0.418 and 79,500/mm3, respectively. Late-onset, history of blood transfusion, thrombocytopenia, and elevated CRP were significantly associated with the clinical deterioration of neonates with NEC (p =  < 0.001, 0.017, 0.001, and < 0.001, respectively), while leukocytosis, gestational age, and birth weight were not (p = 0.073, 0.274, and 0.637, respectively). Multivariate analysis revealed that late-onset and elevated CRP were strongly associated with the clinical deterioration of neonates with NEC, with an odds ratio of 3.25 (95% CI = 1.49–7.09; p = 0.003) and 3.53 (95% CI = 1.57–7.95; p = 0.002), respectively. We reveal that late-onset and elevated CRP are the independent prognostic factor for the clinical deterioration of preterm neonates with NEC. Our findings suggest that we should closely monitor preterm neonates with NEC, particularly those with late-onset of the disease and those with an elevated CRP, to prevent further clinical deterioration and intervene earlier if necessary.
Breast cancer patient characterisation and visualisation using deep learning and fisher information networks
Authors: Ortega-Martorell Sandra , Riley Patrick , Olier Ivan , Raidou Renata G. , Casana-Eslava Raul , Rea Marc , Shen Li , Lisboa Paulo J. G. , Palmieri Carlo
Published: August 2022

Breast cancer is the most commonly diagnosed female malignancy globally, with better survival rates if diagnosed early. Mammography is the gold standard in screening programmes for breast cancer, but despite technological advances, high error rates are still reported. Machine learning techniques, and in particular deep learning (DL), have been successfully used for breast cancer detection and classification. However, the added complexity that makes DL models so successful reduces their ability to explain which features are relevant to the model, or whether the model is biased. The main aim of this study is to propose a novel visualisation to help characterise breast cancer patients using Fisher Information Networks on features extracted from mammograms using a DL model. In the proposed visualisation, patients are mapped out according to their similarities and can be used to study new patients as a ‘patient-like-me’ approach. When applied to the CBIS-DDSM dataset, it was shown that it is a competitive methodology that can (i) facilitate the analysis and decision-making process in breast cancer diagnosis with the assistance of the FIN visualisations and ‘patient-like-me’ analysis, and (ii) help improve diagnostic accuracy and reduce overdiagnosis by identifying the most likely diagnosis based on clinical similarities with neighbouring patients.
Fluoride varnish, ozone and octenidine reduce the incidence of white spot lesions and caries during orthodontic treatment: randomized controlled trial
Authors: Grocholewicz Katarzyna , Mikłasz Paulina , Zawiślak Alicja , Sobolewska Ewa , Janiszewska-Olszowska Joanna
Published: August 2022

This randomized, parallel, controlled trial assessed the effect of fluoride varnish, ozone and octenidine on white spot lesions (WSLs) and caries during orthodontic treatment. Patients were enrolled between 1st September 2017 and 31st August 2020 at initiation of orthodontic treatment in Department of Interdisciplinary Dentistry Pomeranian Medical University in Szczecin, Poland. All participants were randomly assigned to four study and one control groups using number random generator. However, investigators were not blinded due to the nature of the study. Groups I, II, III, IV had professional cleaning and varnishing (5% NaF) every 4 weeks. Groups II and IV had in-office ozone therapy before varnishing, groups III and IV received domestic octenidine mouthrinse. Group K had no professional hygienic or prophylactic procedures. WSLs were assessed at T0 and then every 4 weeks (T1–T4) and caries—at T0 and T4. The specific objective was to assess the influence of fluoride varnish, ozone and octenidine on the incidence of white spot lesions and caries during orthodontic treatment. The primary outcome of this report was the highest number of WSLs in group K and the lowest percentage of patients with WSLs in group IV. Each group comprised 30 randomized participants; they were all analyzed. No WSLs were found at T0, but they were stated in all groups at T4. The numbers of patients with WSLs significantly increased between T0-T4 in groups I and K. Group IV had the lowest percentage of patients with WSLs in T1-T4. WSLs in group IV were found no earlier than at T2. Group K had the highest percentage of WSLs at T4: 26%. At T0 all the groups had DMFs above 0 with a significant increase at T4. No side effects of the introduced prophylaxis were observed in any group. Caries is an important problem of fixed orthodontic treatment. Even an extremely intensive prophylaxis could not completely prevent WSLs and caries. Simultaneous application of fluoride varnish, ozone gas exposure and octenidine appears to have a beneficial effect in limiting the development of WSLs.

Trial registration: NCT04992481.
Sensitive seismic sensors based on microwave frequency fiber interferometry in commercially deployed cables
Authors: Bogris Adonis , Nikas Thomas , Simos Christos , Simos Iraklis , Lentas Konstantinos , Melis Νikolaos S. , Fichtner Andreas , Bowden Daniel , Smolinski Krystyna , Mesaritakis Charis , Chochliouros Ioannis
Published: August 2022

The use of fiber infrastructures for environmental sensing is attracting global interest, as optical fibers emerge as low cost and easily accessible platforms exhibiting a large terrestrial deployment. Moreover, optical fiber networks offer the unique advantage of providing observations of submarine areas, where the sparse existence of permanent seismic instrumentation due to cost and difficulties in deployment limits the availability of high-resolution subsea information on natural hazards in both time and space. The use of optical techniques that leverage pre-existing fiber infrastructure can efficiently provide higher resolution coverage and pave the way for the identification of the detailed structure of the Earth especially on seismogenic submarine faults. The prevailing optical technique for use in earthquake detection and structural analysis is distributed acoustic sensing (DAS) which offers high spatial resolution and sensitivity, however is limited in range (< 100 km). In this work, we present a novel technique which relies on the dissemination of a stable microwave frequency along optical fibers in a closed loop configuration, thereby forming an interferometer that is sensitive to deformation. We call the proposed technique Microwave Frequency Fiber Interferometer (MFFI) and demonstrate its sensitivity to deformation induced by moderate-to-large earthquakes from either local or regional epicenters. MFFI signals are compared to signals recorded by accelerometers of the National Observatory of Athens, Institute of Geodynamics National Seismic Network and by a commercially available DAS interrogator operating in parallel at the same location. Remarkable agreement in dynamical behavior and strain rate estimation is achieved and demonstrated. Thus, MFFI emerges as a novel technique in the field of fiber seismometers offering critical advantages with respect to implementation cost, maximum range and simplicity.
Clinical utility of reticulocyte hemoglobin equivalent in patients with heart failure
Authors: Tahara Saki , Naito Yoshiro , Okuno Keisuke , Yasumura Seiki , Horimatsu Tetsuo , Ohno Junichi , Sunayama Isamu , Matsumoto Yuki , Manabe Eri , Masai Kumiko , Azuma Kohei , Nishimura Koichi , Min Kyung-Duk , Goda Akiko , Asakura Masanori , Ishihara Masaharu
Published: August 2022

Anemia and iron deficiency (ID) are common in patients with heart failure (HF) and intravenous (IV) administration of iron to patients hospitalized for decompensated HF with ID improves outcome. The diagnosis of ID in routine practice is based on serum ferritin and transferrin saturation (TSAT) but both have limitations; alternatives should be considered. Reticulocyte hemoglobin equivalent (Ret-He) reflects iron content in reticulocytes but its clinical utility in patients with HF remains uncertain. We prospectively enrolled 142 patients hospitalized for decompensated HF. Sixty five percent had ID as defined in current international guidelines. Ret-He was directly correlated with serum iron and ferritin concentrations and with TSAT. There was a poor relationship between quartile of Ret-He and HF hospitalization or death but increases or decreases in Ret-He between admission and discharge were associated with a worse outcome. The clinical utility of Ret-He for identifying ID and predicting response to IV iron and prognosis for patients with HF requires further investigation.
LBS user location privacy protection scheme based on trajectory similarity
Authors: Qian Kun , Li Xiaohui
Published: August 2022

During the data set input or output, or the data set itself adds noise to enable data distortion to effectively reduce the risk of user privacy leakage. However, in the conventional method, the added noise may cause data distortion, thereby appealed against it. However, the amount of noise is too small and cannot meet the effect of privacy protection. Therefore, we propose a LBS user location privacy protection scheme based on trajectory similarity (DPTS). With double privacy protection without reducing the efficiency of algorithms, it does not cause data distortion to provide more reliable privacy protection. The main contributions of this article include: (1) In the process of collecting and publishing the location data, introduce into the privacy protection method, (2) The differential privacy algorithm based on the trajectory prefix tree is superimposed on the basis of the false position replacement algorithm based on the trajectory similarity, (3) Propose LBS-based Difference Privacy Protection Algorithm. In the algorithm, We reach the purpose of protecting user personal privacy by replace the original trajectory into a fake track trace that is the lowest degree of similarity in the interval. Then establish a prefix tree and add noise to the positional frequency. It is in order to further protect the sensitive location information, double protection in the trajectory data set, and the degree of privacy protection is improved. Simulation experiment results show that the proposed algorithm is effective. The algorithm can suppress the distortion rate of data while improving the amount of noise, and in improving the algorithm operation efficiency, it reduces the risk of leakage of sensitive position information.
Fine mapping of Ascaris lumbricoides, Trichuris trichiura and hookworm infections in sub-districts of Makenene in Centre Region of Cameroun
Authors: Kamdem Cyrille Nguemnang , Tiofack Auvaker Arnol Zebaze , Mewamba Estelle Mezajou , Tchounkeu Esthelline Yangea , Tatang Joël Rostand Atiokeng , Mengoue Edmond Loic Tekeu , Mbagnia Carole Mureille Tchami , Fogue Pythagore Soubgwi , Womeni Hilaire Macaire , Simo Gustave
Published: August 2022

Preventive chemotherapy (PC) that remains the main control strategy recommended by the World Health Organization to achieve the elimination of soil-transmitted helminth (STH) infections as a public health problem must be strengthened by identifying the remaining transmission hot-spots for the deployment of appropriate control measures. This study was designed to assess the prevalence and infections intensities of soil-transmitted helminths and perform micro scale mapping in order to identify transmission hot-spots for targeted control operations. Stool samples were collected from 1775 children in ten primary schools of eight sub-districts of Makenene in Cameroon. Kato Katz technique was used to process and examine stool samples to detect the eggs of soil-transmitted nematodes. The prevalence of soil-transmitted helminth species as well as the infection intensities was compared. Data visualizations in forms of maps were made using Quantum geographic information system (QGIS) software. The overall prevalence of soil-transmitted helminth infections was 4.8% with a 95% confidence interval (CI) of 3.8–5.9%: 3.0% (95% CI 2.2–3.9) for Ascaris lumbricoides, 1.4% (95% CI 0.9–2.0) for Trichuris trichiura and 0.8% (95% CI 0.5–1.4) for hookworms. The prevalence of soil-transmitted helminth species differ significantly between schools and sub-districts. The intensity of infections was light (2.4%, 1.1% and 0.8%), moderate (0.4%, 0.1% and 0.1%) and heavy (0.2%, 0.2% and 0%) for A. lumbricoides, T. trichiura and hookworm respectively. The mean intensity of infections was 7255 EPG for A. lumbricoides, 2900 EPG for T. trichiura and 298 EPG for hookworm. Between schools, significant difference was recorded in the means of infection intensities of T. Trichiura and hookworms but not for A. lumbricoides. This difference was also significant for T. Trichiura when comparison were between sex. No significant difference were recorded when the comparison were between age. Fine mapping revealed that children harbouring heavy infections were clustered in the same sub-districts; highlighting the presence of high endemicity sub-districts and hot-spots for the transmission of different soil-transmitted helminth species. This study showed a diversity in the prevalence and transmission of different soil-transmitted helminth species. It also hightlighted the need for micro scale mapping to enable the localisation of high endemicity sub-districts and transmission hot-spot sites where targeted control operations must be deployed to achieve STH elimination.
Network pharmacology combined with pharmacodynamics revealed the anti-inflammatory mechanism of Tanreqing capsule against acute-exacerbation chronic obstructive pulmonary disease
Authors: Han Xiao-Xiao , Tian Yan-Ge , Liu Xue-Fang , Zhao Di , Du Xue-Hang , Dong Hao-Ran , Feng Su-Xiang , Li Jian-Sheng
Published: August 2022

Acute-exacerbation chronic obstructive pulmonary disease (AECOPD) is mainly associated with acute respiratory tract infection. In recent years, a growing number of studies have found that Tanreqing capsule (TRQ) has a favorable anti-inflammatory effect. In this study, we used network pharmacology and pharmacodynamics to explore the molecular mechanism and effects of TRQ in AECOPD treatment. To further understand the molecular mechanism of TRQ in AECOPD treatment, we used the network pharmacology to predict components of TRQ, TRQ-related targets, AECOPD-related targets, and pathways. In addition, we used the cigarette-smoke/lipopolysaccharide -induced AECOPD experimental model in Sprague–Dawley rats (72 rats randomly divided into six groups [n = 12 each]: control, model, high-TRQ [TRQ-H], medium-TRQ [TRQ-M], low-TRQ, and dexamethasone [Dex]) to evaluate the therapeutic effects of TRQ and to verify the network pharmacology. We found that 59 overlapping targets based on component-and AECOPD-related targets were frequently involved in the advanced glycation end product–receptor for advanced glycation end product signaling pathway in diabetic complications, the phosphatidylinositol-3-kinase–protein kinase B signaling pathway, and the hypoxia-inducible factor 1 signaling pathway, which might play important roles in the anti-inflammatory mechanism of TRQ in AECOPD treatment. Moreover, TRQ groups exerted protective effects against AECOPD by reducing the infiltration of inflammatory cells. Meanwhile, TRQ-M and TRQ-H groups significantly downregulated or upregulated the expression of tumor necrosis factor, interleukin (IL) 6, C-reactive protein, IL10, and serum amyloid A, as key targets in network pharmacology, in the serum and bronchoalveolar lavage fluid to achieve anti-inflammatory efficacy. Our study showed that TRQ had better anti-inflammatory efficacy against AECOPD, and initially elucidated its molecular mechanism. Moreover, our study also provides a new strategy to explore effective mechanism of TRQ against AECOPD; and further studies are needed to validate the biological processes and pathways of TRQ against AECOPD.
Quantum-behaved particle swarm optimization based on solitons
Authors: Fallahi Saeed , Taghadosi Mohamadreza
Published: August 2022

This paper introduces a novel variant of the quantum particle swarm optimization algorithm based on the quantum concept of particle-like solitons as the most common solutions of the quantum nonlinear Schrödinger equation. Soliton adaptation in external potentials is one of their most remarkable features which allows them to be stabilized even without a trapping potential, while the potential must be bounded for quantum particles to be localized. So we consider the motion scenario of the present algorithm based on the corresponding probability density function of quantum solitons. To evaluate the efficiency, we examine the proposed algorithm over a set of known benchmark functions, including a selection of test functions with different modalities and dimensions. Moreover, to achieve a more comprehensive conclusion about the performance, we compare it with the results obtained by particle swarm optimization (PSO), standard quantum-behaved particle swarm optimization QPSO, improved sine cosine Algorithm (ISCA), and JAYA optimization algorithm. The numerical experiments reveal that the proposed algorithm is an effective approach to solving optimization problems that provides promising results in terms of better global search capability, high accuracy, and faster convergence rate.
Mortality of septic knee arthritis in Korea: risk factors analysis of a large national database
Authors: Choi Ho-Jun , Yoon Han-Kook , Oh Hyun-Cheol , Hong Jung-Hwa , Choi Taeyun , Park Sang-Hoon
Published: August 2022

This study aimed to analyze the risk factors for mortality of septic knee arthritis in Korea through a large nationwide data research. The National Health Insurance Service-Health Screening database was used to analyze 89,120 hospitalizations for septic knee arthritis between 2005 and 2018. In-hospital, thirty-day, and ninety-day mortality, and their association with patient’s demographic factors, various comorbidities (i.e., cerebrovascular disease, congestive heart failure, and myocardial infarction) and Charlson Comorbidity Index (CCI) were assessed. Secondary outcomes of complications (osteomyelitis, knee arthroplasty, recurrence) were analyzed. The number of hospitalization with septic knee arthritis increased from 1847 cases in 2005 to 8749 cases in 2018. There was no significant difference in mortality after diagnosis of septic knee arthritis between years. The risk of mortality in patients who hospitalized with septic knee arthritis increased in comorbidities like Congestive heart failure, dementia, myocardial infarction, chronic kidney disease. Hazard ratio (HR) decreased in patients who have comorbidities such as rheumatoid arthritis, liver disease, rheumatologic disease. HR for mortality in septic knee arthritis increased in patients with CCI more than 1. The risk factors for mortality in all periods were male sex, old age, high CCI, comorbidities such as congestive heart failure, dementia, myocardial infarction, chronic kidney disease. Efforts to reduce mortality should be concentrate more on patients with these risk factors.
Characterizing Conformational Diversity of G Protein-coupled Receptors by Solution NMR Spectroscopy
Authors: Wu Feng-Jie , Bumbak Fabian , Tanipour Mohammad Hossein , Asadollahi Kazem , Vaid Tasneem M. , Sethi Ashish , Scott Daniel J. , Gooley Paul R.
Published: August 2022

G protein-coupled receptors are the largest family of integral membrane proteins in humans that have roles in almost all physiological processes. The binding of extracellular ligands allosterically modulates the intracellular interaction of the GPCR with transducer proteins such as G proteins and arrestins. This allosteric coupling operates via a network of conserved microswitches to adjust the equilibrium of active, intermediate and inactive states of the GPCR. Crystallography and cryo-electron microscopy have determined the structures of many active and inactive state GPCRs, while solution-state methods such as NMR spectroscopy inform on the dynamics of additional states and their role in signalling. In addition, solution NMR spectroscopy is providing insight into the pathways and mechanisms of ligand binding, including disordered peptides, to GPCRs. This chapter reviews the challenges in preparing GPCRs for solution NMR data collection, the knowledge gained about the conformational landscapes and ligand binding to GPCRs.
Characterising Intrinsically Disordered Proteins Using NMR Spectroscopy and MD Simulations
Authors: Heller G. T. , Yu L. , Hansen D. F.
Published: August 2022

Intrinsically disordered proteins and regions comprise about 30% of the human proteome. These functionally important and dynamic biomolecules are generally not amenable to standard techniques of structural biology, including X-ray crystallography and cryogenic electron microscopy (cryo-EM) due to their extreme structural heterogeneity. Nuclear magnetic resonance (NMR) spectroscopy is particularly well-suited to experimentally characterise disordered proteins in solution, revealing insights into the structural and dynamic properties of these biomolecules, their interactions, and functional mechanisms. Nevertheless, NMR experiments report on time and ensemble averages, preventing full characterisations of the diverse structures adopted by disordered proteins. Molecular dynamics (MD) simulations are highly complementary to NMR measurements and have the potential to fully characterise the structural ensembles of disordered proteins. Nevertheless, simulations suffer from limitations such as force field inaccuracies and poor convergence. In this chapter, we highlight recent advancements made in NMR and MD, with particular emphasis on NMR techniques to quantify conformational exchange and integrative MD simulations, respectively, which have revealed important mechanistic details on the structural ensembles of disordered proteins and their interactions.
Locating Hydrogen Atoms Using Fast-MAS Solid-state NMR and microED
Authors: Nishiyama Yusuke
Published: August 2022

Methods to locate hydrogen atoms in solids using fast-MAS solid-state NMR and their application for atomic-resolution structural studies are summarized in this chapter. The location of H atoms as well as the inter-atomic distances involving H atoms can be accurately determined by experimentally measuring hetero- and homonuclear dipolar couplings involving H atoms. Heteronuclear dipolar couplings can be determined by monitoring the evolution of magnetization under the influence of heteronuclear couplings or from the build-up of the dipolar-mediated magnetization transfer under fast-MAS, while the magnetization exchange build-up curves can also be utilized to determine 1H–1H homonuclear dipolar couplings. In this chapter, a combination of microED and solid-state NMR experiments is also introduced to obtain the crystal structure from nano- to microcrystals. The crystalline structure, including hydrogen atom positions, was validated by solid-state NMR in the framework of NMR crystallography.
Structure and Dynamics of Native Biological Materials by Solid-state NMR Spectroscopy
Authors: Dubey Richa , Sinha Neeraj
Published: August 2022

Solid-state nuclear magnetic resonance (ssNMR) spectroscopy has grown to be one of the most precise and increasingly used spectroscopic tools to provide high-resolution structural insight into biological materials. This chapter focuses on recent developments in multidimensional ssNMR methods for biological materials such as bone, cartilage, tooth enamel, dentin, keratins, and other species such as tropical and deep-water corals and silk fibers at the atomic scale. The chapter discusses the current development in ssNMR methodologies used for the structure determination and dynamics study of such biological materials. The chapter also emphasizes the molecular-level structural information as well as studies related to the mechanisms of action of these biological materials.
Combination of the lateral-flow immunoassay with multicolor gold nanorod etching for the semi-quantitative detection of digoxin
Authors: Bradbury Daniel W. , Trinh Jasmine T. , Ryan Milo J. , Chen Kyle J. , Battikha Adel A. , Wu Benjamin M. , Kamei Daniel T.
Published: August 2022

We demonstrated the first ever combination of the lateral-flow immunoassay (LFA) with gold nanorod etching to achieve a multicolor readout where the changes in color hue are more easily discernible than changes in intensity of a single color.
Ion-selective membrane modified microfluidic paper-based solution sampling substrates for potentiometric heavy metal detection
Authors: Silva Rochelle , Zhao Ke , Ding Ruiyu , Chan Wei Ping , Yang Mingpeng , Yip Jane Si Qi , Lisak Grzegorz
Published: August 2022

Ion-selective membrane modified paper substrates were used to control the unfavourable super-Nernstian response of Pb2+-ISEs when coupled with microfluidic paper-based solution sampling.
Unsupervised classification of voltammetric data beyond principal component analysis
Authors: Weaver Christopher , Fortuin Adrian C. , Vladyka Anton , Albrecht Tim
Published: August 2022

Effective dimensionality reduction for the classification of electrochemical data based on PCA, t-SNE and UMAP and different data formats, including image recognition and feature extraction.
Multi-component surface engineering of Na3V2(PO4)2O2F for low-temperature (−40 °C) sodium-ion batteries
Authors: Zheng Kunxiong , Xu Shitan , Yao Yu , Chen Dong , Liu Lin , Xu Chen , Feng Yuezhan , Rui Xianhong , Yu Yan
Published: August 2022

A functional Na3V2(PO4)2O2F cathode with a multi-component (Na3V(PO4)2, V2O3, and reduced graphene oxide) surface coating is developed, and exhibits high reversible capability, and long-term cycling stability even at a low temperature of −40 °C.
A book-like organic based electrode with high areal capacity for high performance flexible lithium/sodium-ion batteries
Authors: Huang Tao , Gao Hong , Chen Jun , Liu Hao , Wu Dongqing , Wang Guoxiu
Published: August 2022

A free-standing multilayer book-like organic based electrode was prepared, presenting high conductivity and excellent flexibility, thereby achieving outstanding performance for flexible lithium-ion batteries and sodium-ion batteries.
An approach to functionalized carbazoles from Z-enoate propargylic alcohols. A unified total synthesis of N-Me-carazostatin, N-Me-carbazoquinocin C and N-Me-lipocarbazole A4
Authors: Roy Debayan , Tharra Prabhakararao , Baire Beeraiah
Published: August 2022

Development of an acid catalyzed, intramolecular benzannulation of indoles for the synthesis of functionalized carbazoles has been reported.
Synthesis of neutral Li-endohedral PCBM: an n-dopant for fullerene derivatives
Authors: Ueno Hiroshi , Kitabatake Daiki , Lin Hao-Sheng , Ma Yue , Jeon Il , Izawa Seiichiro , Hiramoto Masahiro , Misaizu Fuminori , Maruyama Shigeo , Matsuo Yutaka
Published: August 2022

Li@PCBM was synthesized. It exists in a monomer-dimer equilibrium in solution but as a monomer in the PCBM matrix. The fully dispersed Li@PCBM served as an n-dopant for the surrounding empty PCBM, raising the Fermi level by 0.13 eV.
Reactions of sulfoxides with reactive oxygen species to reveal the radical chemistry of pollution-derived particulate matter
Authors: Soltau Carl P. , Brown Zac E. , Brock Aidan J. , Martyn Alexander P. , Blinco James P. , Miljevic Branka , McMurtrie John C. , Bottle Steven E.
Published: August 2022

The radical reactions of dimethylsulfoxide (DMSO) and tetrahydrothiophene-1-oxide (THTO) with reactive oxygen species (ROS) in the presence of a nitroxide radical scavenger have been evaluated both synthetically and in analytical practice.
Hierarchical Au/CeO2systems – influence of Ln3+dopants on the catalytic activity in the propane oxidation process
Authors: Woźniak Piotr , Kraszkiewicz Piotr , Małecka Małgorzata A.
Published: August 2022

The catalytic activity of the hierarchical tube-like Au/Ce1−xLnxO2−x/2in the propane oxidation process depends not only on the presence of Au nanoparticles on the support surface but also on the type of deformation in the CeO2network.
Mesoporous TiO2 layer suppresses ion accumulation in perovskite solar cells
Authors: Miao Shaoshuai , Yuan Shuai , Zhu Dongping , Cai Qingbin , Wang Hao-Yi , Wang Yi , Qin Yujun , Ai Xi-Cheng
Published: August 2022

The TiO2-nanoparticle scaffold suppresses ion accumulation in mesoporous perovskite solar cells by reducing the electrostatic interaction between the conductive substrate and the perovskite active layer.
Robust covalent pyrazine anchors forming highly conductive and polarity-tunable molecular junctions with carbon electrodes
Authors: Wang Yudi , Pan Haoyang , Lin Dongying , Li Shi , Wang Yongfeng , Sanvito Stefano , Hou Shimin
Published: August 2022

Pyrazine anchors are advantageous for forming stable and structurally well-defined molecular junctions with carbon electrodes, which exhibit efficient electronic transport and provide a chemical way to tailorin situthe charge-carrier polarity.
Quantum anomalous Hall effect in germanene by proximity coupling to a semiconducting ferromagnetic substrate NiI2
Authors: Dong Xiao-Jing , Ren Miao-Juan , Zhang Chang-Wen
Published: August 2022

A model Ge/NiI2 van der Waals heterostructure for topological field transistor devices is reported.
Multiple molecular interactions between alkyl groups and dissociated bromine atoms on Ag(111)
Authors: Kawai Shigeki , Sugawara Kazuma , Ma Yujing , Sun Kewei , Custance Oscar , Ishigaki Yusuke , Suzuki Takanori
Published: August 2022

Bromine-mediated molecular self-assembled structures with different alkyl groups in length were investigated using low-temperature scanning tunnelling microscopy under ultrahigh vacuum.
Synthesis and structural characterization of the new Zintl phases Eu10Mn6Bi12 and Yb10Zn6Sb12
Authors: Janzen Ryan , Baranets Sviatoslav , Bobev Svilen
Published: August 2022

Two new ternary compounds, Eu10Mn6Bi12 and Yb10Zn6Sb12, were synthesized and structurally characterized.
Oxidative addition or Werner coordination complex? Reactivity of β-diketiminate supported main group and first-row transition metal complexes towards ammonia
Authors: Vasko Petra , Lau Cheuk W.
Published: August 2022

A series of neutral LM and L′M compounds including a main group 13/14 or first-row transition metal complexes and their reactivity towards ammonia were studied computationally by density functional theory (DFT).
Synthetic amorphous silica: environmental impacts of current industry and the benefit of biomass-derived silica
Authors: Errington Ethan , Guo Miao , Heng Jerry Y. Y.
Published: August 2022

Life cycle assessment shows the environmental impact of two existing industrial methods for the manufacture of silica and two potential methods using biomass as a feedstock. Processes are then compared with consideration made for model uncertainty.
A review on non-noble metal catalysts for glycerol hydrodeoxygenation to 1,2-propanediol with and without external hydrogen
Authors: Mane Rasika , Jeon Yukwon , Rode Chandrashekhar
Published: August 2022

This review summarizes Cu-based catalysts for sustainable hydro-deoxygenation of glycerol to 1,2-propanediol with and without external hydrogen including various mechanistic pathways for the reactions involved.
Four-component defluorinative reaction of allylic fluorides, amidines, and Cs2CO3under transition-metal-free conditions
Authors: Chen Yu-Lan , Sun Li-Wen , Chen Jia-Wei , Zhu Ming-Quan , Ma Mengtao , Shen Zhi-Liang , Chu Xue-Qiang
Published: August 2022

An unprecedented four-component defluorinative reaction of allylic fluorides, amidines, and Cs2CO3for the convenient synthesis of valuable pyrimidine-containing amidino carbamates under transition-metal-free conditions was developed.
Visible-light-mediated synthesis of β-keto sulfones using g-C3N4 as a recyclable photocatalyst under sustainable conditions
Authors: Dam Binoyargha , Sahoo Ashish Kumar , Patel Bhisma K.
Published: August 2022

Syntheses of β-keto sulfones have been reported using g-C3N4 as a recyclable photocatalyst along with green chemistry metrics and eco-scale evaluation.
Photoredox-catalyzed coupling of acyl oxime acetates with thiophenols to give arylthioesters in water at room temperature
Authors: Fu Yuanyuan , Zhu Shengzhen , Zhao Xueyan , Huang Shenlin
Published: August 2022

A convenient synthesis of valuable arylthioesters via visible-light-induced radical coupling of acyl oxime acetates with thiophenols in water was developed.
A tutorial review on methods of agricultural product sample pretreatment and target analysis by laser-induced breakdown spectroscopy
Authors: Yang Ping , Fu Gangrong , Wang Jiang , Luo Ziyi , Yao Mingyin
Published: August 2022

LIBS in agricultural product sample preparation methods and agricultural product quality and safety analysis applications are reviewed. The advantages as well as challenges of LIBS in agricultural applications are discussed.
Recent advances in microfluidics-based cell migration research
Authors: Ren Jiaqi , Wang Ning , Guo Piao , Fan Yanping , Lin Francis , Wu Jiandong
Published: August 2022

This article reviews recent advances in microfluidics-based cell migration research, focusing on four aspects: host–pathogen interactions, cell migration in spatiotemporal chemical fields, cell transmigration, and deep learning analysis methods.
An acid-catalyzed polyol in situ crosslinked alginate ester/Antarctic krill protein composite fiber with improved strength and water resistance
Authors: Xu Yi , Guo Jing , Guan Fucheng , Yang Qiang , Yin Juhui , Ji Xinbin
Published: August 2022

A novel alginate ester/Antarctic krill protein composite fiber with high strength and water resistance that is non-toxic.
Isolated Ni atoms induced edge stabilities and equilibrium shapes of CVD-prepared hexagonal boron nitride on the Ni(111) surface
Authors: Zhu Hongxia , Zhao Ruiqi
Published: August 2022

The edge stability and equilibrium shape of h-BN passivated by isolated Ni atoms are revealed by density functional theory simulations.
Terahertz cavity optomechanics using a topological nanophononic superlattice
Authors: Chang Haonan , Li Zhenyao , Lou Wenkai , Yao Qifeng , Lai Jia-Min , Liu Bing , Ni Haiqiao , Niu Zhichuan , Chang Kai , Zhang Jun
Published: August 2022

A terahertz multi-optical mode cavity optomechanical device is designed using a topological superlattice and Ωm=ωj-ωj-1≠ωj+1-ωj. Scattering photons could doubly resonate with cavity modes at an anti-Stokes (Stokes) frequency and pump frequency.
Copper-catalyzed reactions of α,β-unsaturatedN-tosylhydrazones with diaryliodonium salts to constructN-arylpyrazoles and diaryl sulfones
Authors: Chen Lian-Mei , Zhou Chuang , Li Jing , Li Jun , Guo Xiao-Qiang , Kang Tai-Ran
Published: August 2022

A Cu(OAc)2-catalyzed reaction of α,β-unsaturatedN-tosylhydrazones with diaryliodonium salts to giveN-arylpyrazoles and an extra diaryl sulfone has been developed. This reaction took full advantage of the “waste” part of substrates to give an extra and valuable product.
Cyclopolymerizable and cyclopolymeric photoinitiators from diallyl amine and α-hydroxy ketones
Authors: Balaban Burcu , Kariksiz Neslihan , Eren Tugce Nur , Avci Duygu
Published: August 2022

Two novel cyclopolymerizable and one cyclopolymeric (first in the literature) PIs with high reactivity, controllable water solubility, migration stability and high thermal stability were synthesized by attachment of diallyl amine to I2959 or I184.
Facile synthesis of monocyclic, dumbbell-shaped and jellyfish-like copolymers using a telechelic multisite hexablock copolymer
Authors: Zhu Yingsheng , Liu Peng , Zhang Jian , Hu Jiaman , Zhao Youliang
Published: August 2022

A heterofunctional hexablock copolymer comprising alternating reactive and non-reactive blocks is designed to generate cyclic, dumbbell-shaped and jellyfish-like copolymers.
Well-defined amine-reactive polymethacrylates through organocatalyzed controlled radical polymerization
Authors: Ho Hien The , Montembault Véronique , Pascual Sagrario , Fontaine Laurent , Gigmes Didier , Phan Trang N. T.
Published: August 2022

A novel alkyl iodide bearing an azlactone group was successfully employed as a reversible complex-mediated polymerization (RCMP) initiator for synthesizing for the first-time well-defined α-azlactone-terminated polymethacrylates (Đ < 1.30). The amine-scavenging ability of the resulting functional polymers was demonstrated by using benzylamine.
An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction
Authors: Drago Victoria N. , Dajnowicz Steven , Parks Jerry M. , Blakeley Matthew P. , Keen David A. , Coquelle Nicolas , Weiss Kevin L. , Gerlits Oksana , Kovalevsky Andrey , Mueser Timothy C.
Published: August 2022

The neutron structure of pyridoxal 5′-phosphate-dependent enzyme aspartate aminotransferase with pyridoxamine 5′-phosphate (PMP) reveals a low-barrier hydrogen bond between the amino groups of PMP and catalytic Lys258, preorganizing the active site for catalysis
Constraints on dark matter self-interaction from the internal density profiles of X-COP galaxy clusters
Authors: Eckert D. , Ettori S. , Robertson A. , Massey R. , Pointecouteau E. , Harvey D. , McCarthy I. G.
Published: August 2022

The fundamental properties of the postulated dark matter (DM) affect the internal structure of gravitationally bound structures. In the cold dark matter paradigm, DM particles interact only via gravity. Their distribution is well represented by an Einasto profile with shape parameter α ≈ 0.18 in the smallest dwarf galaxies or the most massive galaxy clusters alike. Conversely, if DM particles self-interact via additional forces, we expect the mass density profiles of DM halos to flatten in their central regions, thereby increasing the Einasto shape parameter. We measured the structural properties of 12 massive galaxy clusters from observations of their hot gaseous atmosphere, using the X-ray observatory XMM-Newton, and of the Sunyaev-Zel’dovich effect using the Planck all-sky survey. After removing morphologically disturbed systems, we measured Einasto shape parameters with mean ⟨α⟩=0.19 ± 0.03 and intrinsic scatter σα = 0.06, which is in close agreement with the prediction of the cold dark matter paradigm. We used cosmological hydrodynamical simulations of cluster formation with self-interacting DM (BAHAMAS-SIDM) to determine how the Einasto shape parameter depends on the self-interaction cross section. We used the fitted relation to turn our measurements of α into constraints on the self-interaction cross section, which imply σ/m <  0.19 cm2 g−1 (95% confidence level) at collision velocity vDM − DM ∼ 1000 km s−1. This is lower than the interaction cross section required for DM self-interactions to solve the core-cusp problem in dwarf spheroidal galaxies, unless the cross section is a strong function of velocity.
Closing of the astrotail
Authors: Czechowski A. , Grygorczuk J.
Published: August 2022

Context. The structure of astrospheres depends on the interaction between the host star and the surrounding interstellar medium (ISM). Observations of astrospheres offer new opportunities to learn about the details of this interaction.

Aims. The aim of this work is to study the global structure of astrospheres, concentrating on the case of strong interstellar magnetic field and low relative velocity between the star and the ISM.

Methods. We used a simple magnetohydrodynamical numerical code to simulate the interaction between the stellar wind and the ISM, using different assumptions about the interstellar magnetic field strength, the velocity of the star, and the parameters of the interstellar medium. From the resulting time-stationary solutions, we derived the mass flux distribution of the stellar plasma inside the astrosphere, with particular attention to the flow topology.

Results. We find that the tube-like topology of the astrosphere can occur for an interstellar magnetic field strength of 7 µG (a realistic value in the Galactic disk region), provided that the velocity of the star relative to the ISM is low enough (0.5 km s−1 ). The two-stream structure of the stellar wind mass flow appears to some extent in all our models.
The Galactic population of canonical pulsars
Authors: Dirson Ludmilla , Pétri Jérôme , Mitra Dipanjan
Published: August 2022

Context. Current wisdom suggests that the observed population of neutron stars are manifestations of their birth scenarios and their thermal and magnetic field evolution. Neutron stars can be observed at various wavebands as pulsars, and radio pulsars represent by far the largest population of neutron stars.

Aims. In this paper, we aim to constrain the observed population of the canonical neutron star period, its magnetic field, and its spatial distribution at birth in order to understand the radio and high-energy emission processes in a pulsar magnetosphere. For this purpose we design a population synthesis method, self-consistently taking into account the secular evolution of a force-free magnetosphere and the magnetic field decay.

Methods. We generated a population of pulsars and evolved them from their birth to the present time, using the force-free approximation. We assumed a given initial distribution for the spin period, surface magnetic field, and spatial Galactic location. Radio emission properties were accounted for by the polar cap geometry, whereas the gamma-ray emission was assumed to be produced within the striped wind model.

Results. We find that a decaying magnetic field gives better agreement with observations compared to a constant magnetic field model. Starting from an initial mean magnetic field strength of B = 2.5 × 108 T with a characteristic decay timescale of 4.6 × 105 yr, a neutron star birth rate of 1/70 yr and a mean initial spin period of 60 ms, we find that the force-free model satisfactorily reproduces the distribution of pulsars in the P−Ṗ diagram with simulated populations of radio-loud, radio-only, and radio quiet gamma-ray pulsars similar to the observed populations.