bluuebunny/crossref_metadata_2025 huggingface dataset:
A novel insight on SARS-CoV-2 S-derived fragments in the control of the host immunity
Authors: Bastos Thais Sibioni Berti , de Paula André Guilherme Portela , dos Santos Luz Rebeca Bosso , Garnique Anali M. B. , Belo Marco A. A. , Eto Silas Fernandes , Fernandes Dayanne Carla , Ferraris Fausto Klabund , de Pontes Leticia Gomes , França Tábata Takahashi , Barcellos Leonardo José Gil , Veras Flavio P. , Bermejo Pamela , Guidelli Giovanna , Maneira Carla , da Silveira Bezerra de Mello Fellipe , Teixeira Gleidson , Pereira Gonçalo Amarante Guimarães , Fernandes Bianca H. Ventura , Sanches Paulo R. S. , Braz Helyson Lucas Bezerra , Jorge Roberta Jeane Bezerra , Malafaia Guilherme , Cilli Eduardo M. , Olivier Danilo da Silva , do Amaral Marcos Serrou , Medeiros Renata J. , Condino-Neto Antonio , Carvalho Luciani R. , Machado-Santelli Glaucia M. , Charlie-Silva Ives , Galindo-Villegas Jorge , Braga Tárcio Teodoro
Published: May 2023

Despite all efforts to combat the pandemic of COVID-19, we are still living with high numbers of infected persons, an overburdened health care system, and the lack of an effective and definitive treatment. Understanding the pathophysiology of the disease is crucial for the development of new technologies and therapies for the best clinical management of patients. Since the manipulation of the whole virus requires a structure with an adequate level of biosafety, the development of alternative technologies, such as the synthesis of peptides from viral proteins, is a possible solution to circumvent this problem. In addition, the use and validation of animal models is of extreme importance to screen new drugs and to compress the organism's response to the disease. Peptides derived from recombinant S protein from SARS-CoV-2 were synthesized and validated by in silico, in vitro and in vivo methodologies. Macrophages and neutrophils were challenged with the peptides and the production of inflammatory mediators and activation profile were evaluated. These peptides were also inoculated into the swim bladder of transgenic zebrafish larvae at 6 days post fertilization (dpf) to mimic the inflammatory process triggered by the virus, which was evaluated by confocal microscopy. In addition, toxicity and oxidative stress assays were also developed. In silico and molecular dynamics assays revealed that the peptides bind to the ACE2 receptor stably and interact with receptors and adhesion molecules, such as MHC and TCR, from humans and zebrafish. Macrophages stimulated with one of the peptides showed increased production of NO, TNF-α and CXCL2. Inoculation of the peptides in zebrafish larvae triggered an inflammatory process marked by macrophage recruitment and increased mortality, as well as histopathological changes, similarly to what is observed in individuals with COVID-19. The use of peptides is a valuable alternative for the study of host immune response in the context of COVID-19. The use of zebrafish as an animal model also proved to be appropriate and effective in evaluating the inflammatory process, comparable to humans.
Heterosis patterns and sources of self-compatibility, cross-compatibility and key nut traits within single and double hybrid crosses of kola [Cola nitida (Vent) Schott and Endl.]
Authors: Nyadanu Daniel , Lowor Samuel Tetteh , Pobee Prince , Dogbatse Jerome Agbesi , Akpertey Abraham , Brarko-Marfo Micheal
Published: May 2023

Sexual incompatibility among kola genotypes accounted for over 50% yield loss. Compatible and high yielding varieties are in demand to develop commercial orchards. The objective of this study was to assess self-compatibility and cross-compatibility of kola (C. nitida) genotypes within self, single and double hybrid crosses and to determine heterosis pattern in the resulting hybrids for sexual compatibility and key nut yield and quality traits. Crosses among kola genotypes from three field gene banks (JX1, GX1, MX2) and one advanced germplasm (Bunso progeny) in Ghana were evaluated along their parents for sexual compatibility, nut yield and nut quality. Data were collected on pod set, pseudo-pod set, pod weight, number of nuts per pod, nut weight, brix, potential alcohol and nut firmness. Significant (P < 0.001) differential pod set was observed within Bunso progeny, JX1, GX1 and MX2 crosses; while pseudo-pod set differed only within JX1 and MX2 crosses (P < 0.001). Very large prevalence of mid-parent, heterobeltiosis, and economic heterosis was observed for sexual compatibility, outturn and brix for the single and double hybrid crosses. Heterosis was prominent among the double hybrid crosses as compared to the single hybrid crosses suggesting that recurrent selection of compatible varieties from advanced generations could result in genetic gain in kola improvement. The top five crosses with best heterosis for sexual compatibility and an appreciable positive heterosis for outturn and brix were B1/11 × B1/71 × B1/157 × B1/149, B1/11 × B1/71 × B1/296 × B1/177, GX1/46 × GX1/33 × B1/212 × B1/236, JX1/90 × JX1/51 and JX1/51 × JX1/36. These materials could serve as sources of beneficial alleles for improving Ghanaian kola hybrids and populations for yield and sexual compatibility.
Impact of vitamin D in children with chronic tonsillitis (immunohistochemical study of CD68 polarisation and proinflammatory cytokines estimation)
Authors: Abu-elnasr Awwad Ayat , Hasan Rehab A. , Hablas Mohamed Ghazy Attia , Mohammad Mohammad Abdelhay Osama , Dawood Yahia Mohmmed Ahmed , Ahmed Mohamed Bothina , Rabou Khadiga Abdallah Abd , Salem Taghreed Mahmoud Mohamed , Elhady Marwa , Abd El-Aal Gehad Nabil , Ahmed Ahmed Helal Elsayed , Ibrahim Mostafa Hasan Ahmed , Elmadbouly Asmaa Abd Elsalam , Yahia Mohamed Basiouny , Ashry Walaa Mohamed Omar , El Sayed Said S. M. M. , Algendy Ashraf M. M. , Alkot Ahmad M. F. , Farag Mohamed F. , El Shenawy Emara Ashraf Abdel Aty , Elbayoumy Fayez Mohammed Abd Elfattah , Ali Hany Fawzy , Aldesoky Mohamed Morshdy , Abd-Eltwab Raafat Abd-Rabow , Manawy Samia M. , Mohamed Faruk Eman
Published: May 2023

Inflammatory processes are increasingly attributed to macrophage polarization. Proinflammatory macrophages promote T helper (Th) 1 response, tissue repair, and Th2 responses. Detection of macrophages in tissue sections is facilitated by CD68. Our study is focused on the expression of CD68 and the estimation of proinflammatory cytokines in children’s patients with chronic tonsillitis secondary to vitamin D supplementation. This hospital-based Randomized prospective case–control study was conducted on 80 children with chronic tonsillitis associated with vitamin D deficiency where (40 received vitamin D 50,000 IU weekly for 3–6 months and 40 received 5 ml distilled water as placebo). The serum 25-hydroxyvitamin D [25(OH)D] was measured using an Enzyme-linked immunosorbent assay on all included children. Different histological and immunohistochemical studies for the detection of CD68 were done. There was a significantly lower serum level of 25(OH)D in the placebo group versus the vitamin D group (P < 0.001). The levels of pro-inflammatory cytokines, TNFα, and IL-2 significantly increased in the placebo group as compared to the vitamin D group (P < 0.001). The increased level of IL-4 and IL-10 in the placebo group as compared to the vitamin D group was insignificant (P = 0.32, 0.82) respectively. Vitamin D supplementation alleviated the deleterious effect of chronic tonsillitis on the histological structure of the tonsil. Tonsillar tissues of the children in the control and vitamin D groups demonstrated a highly statistically significantly lower number of CD68 immunoexpressing cells compared with those in the placebo group (P < 0.001). Low vitamin D may play a role in chronic tonsillitis. Vitamin D supplementation could help reduce the occurrence of chronic tonsillitis in susceptible children.
Federated learning via over-the-air computation in IRS-assisted UAV communications
Authors: Li Ruijie , Zhu Li , Zhang Guoping , Xu Hongbo , Chen Yun
Published: May 2023

Intelligent reflective surface (IRS) and unmanned aerial vehicle (UAV) communication are two key technologies in the sixth generation of mobile communication (6G). In this paper, IRS is equipped on UAV to form aerial IRS, which can achieve 360° panoramic full-angle reflection and flexible deployment of IRS. In order to achieve high-quality and ubiquitous network coverage under data privacy and low latency requirements, we propose an Federated learning (FL) network via Over-the-Air computation (AirComp) in IRS-assisted UAV communications. Our goal is to minimize the worst-case mean square error (MSE) by jointly optimizing the IRS phase shift, denoising factor for noise suppression, the user’s transmission power, and UAV trajectory. Optimizing and quickly adjusting the UAV position and IRS phase shift, it flexibly assists the signal transmission between users and base stations (BS). In order to solve this complex non-convex problem, we propose a low-complexity iterative algorithm, which divides the original problem into four sub-problems, respectively using the semi-definite programming (SDP) method, slack variable introduction method, successive convex approximation (SCA) method to solve each sub-problem. Through the analysis of simulation results, our proposed design scheme is obviously better than other benchmark schemes.
A Deep Q-Network based hand gesture recognition system for control of robotic platforms
Authors: Cruz Patricio J. , Vásconez Juan Pablo , Romero Ricardo , Chico Alex , Benalcázar Marco E. , Álvarez Robin , Barona López Lorena Isabel , Valdivieso Caraguay Ángel Leonardo
Published: May 2023

Hand gesture recognition (HGR) based on electromyography signals (EMGs) and inertial measurement unit signals (IMUs) has been investigated for human-machine applications in the last few years. The information obtained from the HGR systems has the potential to be helpful to control machines such as video games, vehicles, and even robots. Therefore, the key idea of the HGR system is to identify the moment in which a hand gesture was performed and it’s class. Several human-machine state-of-the-art approaches use supervised machine learning (ML) techniques for the HGR system. However, the use of reinforcement learning (RL) approaches to build HGR systems for human-machine interfaces is still an open problem. This work presents a reinforcement learning (RL) approach to classify EMG-IMU signals obtained using a Myo Armband sensor. For this, we create an agent based on the Deep Q-learning algorithm (DQN) to learn a policy from online experiences to classify EMG-IMU signals. The HGR proposed system accuracy reaches up to$$97.45 \pm 1.02\%$$97.45±1.02%and$$88.05 \pm 3.10\%$$88.05±3.10%for classification and recognition respectively, with an average inference time per window observation of 20 ms. and we also demonstrate that our method outperforms other approaches in the literature. Then, we test the HGR system to control two different robotic platforms. The first is a three-degrees-of-freedom (DOF) tandem helicopter test bench, and the second is a virtual six-degree-of-freedom (DOF) UR5 robot. We employ the designed hand gesture recognition (HGR) system and the inertial measurement unit (IMU) integrated into the Myo sensor to command and control the motion of both platforms. The movement of the helicopter test bench and the UR5 robot is controlled under a PID controller scheme. Experimental results show the effectiveness of using the proposed HGR system based on DQN for controlling both platforms with a fast and accurate response.
Social networks are shaped by culturally contingent assessments of social competence
Authors: Chadha Sareena , Kleinbaum Adam M. , Wood Adrienne
Published: May 2023

Cultural outsiders, like immigrants or international students, often struggle to make friends. We propose that one barrier to social connection is not knowing what it means to be socially competent in the host culture. First-year students at a U.S. business school (N = 1328) completed a social network survey and rated their own social competence and that of several peers. International students were rated by peers as less socially competent than U.S. students, especially if they were from nations more culturally dissimilar to the U.S. International students’ self-reported competence ratings were uncorrelated with peers’ judgments. Social network analysis revealed international students were less central to their peer networks than U.S. students, although this gap was reduced if peers evaluated them as socially competent. Peer-reported competence mediated the effects of international student status on social network centrality. Since learning local norms takes time, we suggest inclusivity will require host communities to define social competence more broadly.
UHPLC-HRMS-based metabolomic and lipidomic characterization of glioma cells in response to anlotinib
Authors: Shi Yingying , Li Zhuolun , Du Qiuzheng , Li Wenxi , Liu Jiyun , Jia Qingquan , Xue Lianping , Zhang Xiaojian , Sun Zhi
Published: May 2023

Anlotinib, as a promising oral small-molecule antitumor drug, its role in glioma has been only reported in a small number of case reports. Therefore, anlotinib has been considered as a promising candidate in glioma. The aim of this study was to investigate the metabolic network of C6 cells after exposure to anlotinib and to identify anti-glioma mechanism from the perspective of metabolic reprogramming. Firstly, CCK8 method was used to evaluate the effects of anlotinib on cell proliferation and apoptosis. Secondly, ultra-high performance liquid chromatography-high resolution mass spectrometry (UHPLC-HRMS)-based metabolomic and lipidomic were developed to characterize the metabolite and lipid changes in cell and cell culture medium (CCM) caused by anlotinib in the treatment of glioma. As a result, anlotinib had concentration-dependent inhibitory effect with the concentration range. In total, twenty-four and twenty-three disturbed metabolites in cell and CCM responsible for the intervention effect of anlotinib were screened and annotated using UHPLC-HRMS. Altogether, seventeen differential lipids in cell were identified between anlotinib exposure and untreated groups. Metabolic pathways, including amino acid metabolism, energy metabolism, ceramide metabolism, and glycerophospholipid metabolism, were modulated by anlotinib in glioma cell. Overall, anlotinib has an effective treatment against the development and progression of glioma, and these remarkable pathways can generate the key molecular events in cells treated with anlotinib. Future research into the mechanisms underlying the metabolic changes is expected to provide new strategies for treating glioma.
Face-to-face more important than digital communication for mental health during the pandemic
Authors: Stieger S. , Lewetz D. , Willinger D.
Published: May 2023

During the lockdowns associated with the COVID-19 pandemic, many people tried to compensate for limited face-to-face interaction by increasing digital communication. Results of a four-week experience sampling study in the German-speaking countries (N = 411 participants; k = 9791 daily questionnaires) suggest, however, that digital communication was far less relevant for lockdown mental health than face-to-face communication. Digital text-based communication (e.g., e-mail, WhatsApp, SMS) nevertheless was meaningfully associated with mental health, and both face-to-face and digital text communication were more predictive of mental health than either physical or outdoor activity. Our results underscore the importance of face-to-face communication for mental health. Our results also suggest that videoconferencing was only negligibly associated with mental health, despite providing more visual and audible cues than digital text communication.
Genome-wide analysis of sex-specific differences in the mother–child PELAGIE cohort exposed to organophosphate metabolites
Authors: Capriati Martina , Hao Chunxiang , D’Cruz Shereen Cynthia , Monfort Christine , Chevrier Cecile , Warembourg Charline , Smagulova Fatima
Published: May 2023

In recent decades, the detrimental effects of environmental contaminants on human health have become a serious public concern. Organophosphate (OP) pesticides are widely used in agriculture, and the negative impacts of OP and its metabolites on human health have been demonstrated. We hypothesized that exposure to OPs during pregnancy could impose damaging effects on the fetus by affecting various processes. We analyzed sex-specific epigenetic responses in the placenta samples obtained from the mother–child PELAGIE cohort. We assayed the telomere length and mitochondrial copy numbers using genomic DNA. We analyzed H3K4me3 by using chromatin immunoprecipitation followed by qPCR (ChIP‒qPCR) and high-throughput sequencing (ChIP-seq). The human study was confirmed with mouse placenta tissue analysis. Our study revealed a higher susceptibility of male placentas to OP exposure. Specifically, we observed telomere length shortening and an increase in γH2AX levels, a DNA damage marker. We detected lower histone H3K9me3 occupancy at telomeres in diethylphosphate (DE)-exposed male placentas than in nonexposed placentas. We found an increase in H3K4me3 occupancy at the promoters of thyroid hormone receptor alpha (THRA), 8-oxoguanine DNA glycosylase (OGG1) and insulin-like growth factor (IGF2) in DE-exposed female placentas. H3K4me3 occupancy at PPARG was increased in both male and female placentas exposed to dimethylphosphate (DM). The genome-wide sequencing of selected samples revealed sex-specific differences induced by DE exposure. Specifically, we found alterations in H3K4me3 in genes related to the immune system in female placenta samples. In DE-exposed male placentas, a decrease in H3K4me3 occupancy at development-related, collagen and angiogenesis-related genes was observed. Finally, we observed a high number of NANOG and PRDM6 binding sites in regions with altered histone occupancy, suggesting that the effects were possibly mediated via these factors. Our data suggest that in utero exposure to organophosphate metabolites affects normal placental development and could potentially impact late childhood.
The effect of sulfur baths on hemorheological properties of blood in patients with osteoarthritis
Authors: Teległów Aneta , Seremak Joanna , Golec Joanna , Marchewka Jakub , Golec Piotr , Marchewka Urszula , Maciejczyk Marcin , Golec Edward
Published: May 2023

Balneotherapy is an effective treatment method in various diseases and commonly used treatment modality among patients with musculoskeletal disorders. Sulfur baths are known for healing properties however effect on rheological properties is unstudied. Thus the aim of our study was to determine the effect of sulfur balneotherapy on hemorheological blood indices. A total of 48 patients with osteoarthritis were enrolled to the study. Blood samples were collected twice, before and after 3-week time period. We evaluated complete blood count, fibrinogen, hs-CRP and blood rheology parameters such as elongation index (EI), half-time of total aggregation (T1/2) and aggregation index (AI) analyzed with the Lorrca Maxis. Mean age of studied cohort was 67 ± 5 years. After sulfur baths WBC count was significantly decreased is studied group (p = 0.021) as well as neutrophile count (p = 0.036). Red blood cell EIs were statistically higher after sulfur baths in shear stress ranging from 8.24 to 60.30 Pa. T1/2 was significantly higher (p = 0.031) and AI lower (p = 0.003) compared to baseline. No significant changes in fibrinogen and hs-CRP were observed. It is the first study that evaluate effect of sulfur balneotherapy on rheologic properties of blood. Sulfur water baths may improve erythrocyte deformability and aggregation parameters.
Forward genetic screening using fundus spot scale identifies an essential role for Lipe in murine retinal homeostasis
Authors: Yuksel Seher , Aredo Bogale , Zegeye Yeshumenesh , Zhao Cynthia X. , Tang Miao , Li Xiaohong , Hulleman John D. , Gautron Laurent , Ludwig Sara , Moresco Eva M. Y. , Butovich Igor A. , Beutler Bruce A. , Ufret-Vincenty Rafael L.
Published: May 2023

Microglia play a role in the pathogenesis of many retinal diseases. Fundus spots in mice often correlate with the accumulation of activated subretinal microglia. Here we use a semiquantitative fundus spot scoring scale in combination with an unbiased, state-of-the-science forward genetics pipeline to identify causative associations between chemically induced mutations and fundus spot phenotypes. Among several associations, we focus on a missense mutation inLipelinked to an increase in yellow fundus spots in C57BL/6J mice.Lipe−/−mice generated using CRISPR-Cas9 technology are found to develop accumulation of subretinal microglia, a retinal degeneration with decreased visual function, and an abnormal retinal lipid profile. We establish an indispensable role ofLipein retinal/RPE lipid homeostasis and retinal health. Further studies using this new model will be aimed at determining how lipid dysregulation results in the activation of subretinal microglia and whether these microglia also play a role in the subsequent retinal degeneration.
Observations suggest that North African dust absorbs less solar radiation than models estimate
Authors: Adebiyi Adeyemi A. , Huang Yue , Samset Bjørn H. , Kok Jasper F.
Published: May 2023

Desert dust accounts for a large fraction of shortwave radiation absorbed by aerosols, which adds to the climate warming produced by greenhouse gases. However, it remains uncertain exactly how much shortwave radiation dust absorbs. Here, we leverage in-situ measurements of dust single-scattering albedo to constrain absorption at mid-visible wavelength by North African dust, which accounts for approximately half of the global dust. We find that climate and chemical transport models overestimate North African dust absorption aerosol optical depth (AAOD) by up to a factor of two. This occurs primarily because models overestimate the dust imaginary refractive index, the effect of which is partially masked by an underestimation of large dust particles. Similar factors might contribute to an overestimation of AAOD retrieved by the Aerosol Robotic Network, which is commonly used to evaluate climate and chemical transport models. The overestimation of dust absorption by models could lead to substantial biases in simulated dust impacts on the Earth system, including warm biases in dust radiative effects.
Fast Pulsing 2D NMR Methods
Authors: Luy Burkhard
Published: May 2023

In typical NMR experiments 90 percent of the time is used for doing nothing. It is necessary to wait until sufficient polarization is recovered for the next scan. Many tricks have been developed during decades of NMR spectroscopy. The first systematic study involved the use of β-pulses, i.e. pulses with flip angles significantly smaller than 90°, in conventional 1D experiments to obtain the maximum signal-to-noise ratio per experiment time, leading to the well-known Ernst-angle. The principle of retaining a certain amount of reservoir polarization for the following scan can be expanded to many different types of 2D experiments, covering basic correlation experiments, triple resonance experiments, as well as specialized experiments like diffusion-ordering. The polarization reservoir can also be enhanced by efficient relaxation pathways or coherent magnetization transfer. This can lead to (i) 2D experiments with the highest sensitivity for a given experiment time starting from thermal equilibrium polarization, (ii) very short, uncompromised 2D experiments of a few minutes to few seconds duration, and (iii) accessibility to 2D experiments with an extremely well resolved indirect dimension. In this chapter, a systematic derivation of the different principles is given together with an incomprehensive overview of established experiments.
Signal Processing for Highly Resolved 2D NMR
Authors: Snyder D. A.
Published: May 2023

As the name implies, the “traditional” processing scheme for Fourier transform nuclear magnetic resonance (FT-NMR) signals is centred on the Fourier transform. However, other techniques can either replace or supplement the Fourier transform: extracting more information from fewer datapoints, improving sensitivity and/or resolution, reducing acquisition time (while maintaining spectral quality) and even reconstructing spectra whose experimental acquisition is too time-consuming to be feasible. Following an overview of “traditional” FT-NMR processing, including an analysis of apodization functions, this chapter will discuss alternatives to the Fourier transform applicable to 2D spectroscopy, including compressed sensing and covariance NMR. This chapter will evaluate processing techniques in light of the specific advantages of 2D NMR, such as the inherent ability to treat 2D datasets as matrices subject to well-studied matrix operations as well as the symmetry of certain 2D NMR experiments. On the other hand, this chapter will address certain challenges in processing rapidly acquired 2D NMR spectra, such as crowded signals and the inapplicability of certain multidimensional processing techniques to data with only a single indirect dimension. This chapter will also review software for NMR signal processing, such as NMRPipe and Mnova.
Pure Shift 2D NMR Spectroscopy
Authors: Adams Ralph W. , Castañar Laura
Published: May 2023

This chapter introduces pure shift NMR spectroscopy and shows how it can be combined with 2D methods to simplify spectra and aid interpretation. Typically, pure shift NMR is used to produce a spectrum that contains only chemical shift information in the 1H dimension, with signal overlap caused by wide multiplets removed or greatly reduced. This simplification is achieved by removing the effects of homonuclear scalar coupling. Singlet peaks, reporting only chemical shifts, are present in the 1H dimension of the final spectrum. When incorporated into 2D NMR methods, pure shift NMR can provide unparalleled spectral simplicity, removing signal overlap from 2D traces that are already the gold standard for resolution. Pure shift 2D NMR spectroscopy will be introduced through the building blocks of the commonest experiments. Pure shift implementations that exist for variants of almost all standard 2D NMR experiments will be deconstructed. The resulting components will then be used to provide a description of the concepts, theory, and practical aspects required for setting up, acquiring and processing these advanced and useful methods. There are several pure shift approaches available to the spectroscopist, each of which will be introduced and their strengths and weaknesses discussed in the context of 2D NMR. Pure shift NMR methods are not intrinsically quick to acquire. However, as pure shift methods provide direct access to spectral information that might otherwise require much more time-consuming methods they warrant a position alongside fast 2D NMR methods.
Application of Fast 2D NMR Methods in the Pharmaceutical Industry
Authors: Farley K. A. , Horst R. , Koos M. R. M. , Walker G. S.
Published: May 2023

NMR spectroscopy is considered a benchmark analytical technique in the pharmaceutical industry for the structural characterization of organic molecules and identification of target–ligand interactions. Two- and higher-dimensional NMR experiments provide especially rich data sets that demonstrate connectivity between a variety of atoms within a diversity of molecular chemotypes. However, multidimensional NMR experiments are often limited by long acquisition times and insufficient sensitivity and/or resolution. One strategy that can mitigate these limitations is non-uniform sampling (NUS). NUS acquisition achieves faster recording times through the reduction of the number of data points in the indirectly detected dimensions. The spectrum can then be mathematically reconstructed using a variety of different algorithms. This approach can reduce the acquisition time or increase the resolution to resolve overlapping resonances. A second developing approach for the reduction of acquisition times is that of supersequences or nested experiments, such as NMR by ordered acquisition using 1H-detection (NOAH) in which multiple experiments are performed either in sequence or concomitantly in a manner to maximize data acquisition per unit time. Using these pulse sequences, the saved acquisition time can be used to increase throughput, improve sensitivity, or enhance resolution. Application of NUS and NOAH in the pharmaceutical industry will be described.
Fast Multi-dimensional NMR for In Vivo Spectroscopy
Authors: Oerther C. , Marco-Rius I.
Published: May 2023

Molecular imaging techniques based on hyperpolarisation-enhanced magnetic resonance (HP-MR) are revolutionising disease diagnoses. By measuring the chemical kinetics and pool sizes of specific biochemical compounds in vivo, these have the potential to detect small, yet significant differences between healthy and pathological cell metabolism in the imaging subject. In this chapter, fast-imaging strategies for spectral and spatially resolved HP-MR are reviewed. Presently there exist pulse sequences that can probe up to five spatiotemporal or frequency dimensions in vivo and can be tailored to the HP substrate and products to be measured, their SNR and resolution needed. We organize this review by discussing the current state of in vivo MR, including in vivo MR of hyperpolarised proton and carbon-13, as well as deuterium and nitrogen-15. Then, we discuss acquisition strategies for HP-MR in vivo and their limitations, including hardware and software capabilities of NMR spectroscopy/MRI detection systems, and other additional challenges of data sampling in living biological systems.
Behind the scenes: insights into the structural properties of amide-based hole-transporting materials for lead-free perovskite solar cells
Authors: Wolf Florian , Sirtl Maximilian T. , Klenk Sebastian , Wurzenberger Maximilian H. H. , Armer Melina , Dörflinger Patrick , Ganswindt Patrick , Guntermann Roman , Dyakonov Vladimir , Bein Thomas
Published: May 2023

This study links the structural properties of EDOT-amide-TPA and its superior performance as hole transporting materials for perovskite solar cells.
Concentration, distribution, and fractionation of metals in the filter material of 29 bioretention facilities: a field study
Authors: Furén Robert , Österlund Heléne , Winston Ryan J. , Tirpak R. Andrew , Dorsey Jay D. , Smith Joseph , Viklander Maria , Blecken Godecke-Tobias
Published: May 2023

To maintain function in biofilters over time and reduce risk for leakage of metals, regular maintenance, including replacement of top layer is recommended. However, consider metal fractionation when handling material.
Selenium-enrichedBifidobacterium longumDD98 relieves irritable bowel syndrome induced by chronic unpredictable mild stress in mice
Authors: Jin Xueli , Hu Yongjia , Lin Ting , Gao Fei , Xu Ziqi , Hou Xiao , Yin Yu , Kan Shidong , Zhu Hui , Chen Daijie
Published: May 2023

Se-B. longumDD98 positively acts on the gut-brain axis and relieves IBS induced by CUMS.
An engineered cascade-sensitized red-emitting upconversion nanoplatform with a tandem hydrophobic hydration-shell and metal-phenolic network decoration for single 808 nm triggered simultaneous tumor PDT and PTT enhanced CDT
Authors: Li Yameng , Ding Yingjie , Zhang Yifan , Sun Zhiyue , Liu Jiao , Dai Mengxia , Feng Jiayi , Li Bin , Wang Chaozhan , Wei Yinmao , Shen Ji-Wei
Published: May 2023

Efficient Nd3+ → Yb3+ → Tm3+ → Er3+ cascade-sensitized red-emitting UCNP, with tandem hydrophobic hydration-shell and metal-phenolic network decorations, was designed to achieve single 808 nm triggered simultaneous tumor PDT and PTT enhanced CDT.
Principles and applications of green fluorescent protein-based biosensors: a mini-review
Authors: Tian Fengxia , Xu Guangling , Zhou Suo , Chen Shuchang , He Dongmei
Published: May 2023

An overview of the principles and applications of GFP-based biosensors.
Improving SERS biosensors for the analysis of ovarian cancer-derived small extracellular vesicles
Authors: Ngo Long , Zhang Wei , Hnit Su Su Thae , Wang Yuling
Published: May 2023

An improved SERS assay was reported to detect ovarian cancer derived-small extracellular vesicles (sEVs) down to 1.5 × 105 particles per μL. The surface protein biomarkers on sEVs were profiled, showing high sensitivity and specificity of the SERS assay.
Fluorescence enhancement of flavonoids and its application in ingredient determination for some traditional Chinese medicines by CE-LIF
Authors: Zhang Shaoyan , Ning Jinfeng , Wang Qingqing , Wang Wei
Published: May 2023

A method of fluorescence enhancement for flavonoids was firstly developed by simple derivatization of sodium acetate. The developed method was successfully applied on the determination of flavonoids in five traditional Chinese medicines by CE-LIF.
Mn3O4/CuOxheterostructure for nitrate electroreduction to ammonia
Authors: Hu Jun , Ma Aijing , Wu Xuan , Yin Yilin , Liu Dan , Kuvarega Alex T. , Mamba Bhekie B. , Gui Jianzhou
Published: May 2023

The Mn3O4/CuOx/CF heterostructure exhibited high performance for nitrate electroreduction to ammonia owing to the electron transfer between Mn3O4and CuOx.
Dimethylnonacethrene – en route to a magnetic switch
Authors: Čavlović Daniel , Blacque Olivier , Krummenacher Ivo , Braunschweig Holger , Ravat Prince , Juríček Michal
Published: May 2023

We report the first isolable cethrene derivative—dimethylnonacethrene. In contrast to all other reported cethrenes, this derivative is lower in energy compared to its electrocyclised product and has the lowest singlet–triplet gap in the series.
D–A–D–T-type four-component radical dual-difunctionalization and acylative azidation of two different alkenes
Authors: Liu Ren-Xiang , Chen Xin , Yang Luo
Published: May 2023

From a single alkene to two different alkenes! An iron-catalyzed four-component reaction of aldehydes, two different alkenes and TMSN3is developed to orderly assemble these four reactants according to their inherent nucleo/electrophilic activity.
Direct experimental evidence for the boronic acid-mediated bridging of DNA hybrids
Authors: Maroju Pranay Amruth , Thakur Anindita , Ganesan Ramakrishnan , Ray Dutta Jayati
Published: May 2023

By employing terminal deoxynucleotidyl transferase (TdT), unambiguous direct mechanistic evidence for the bridging mode binding of boronic acid between two DNA duplexes via the 3′ hydroxyl moieties has been established.
Photo-gated polymer mechanochromism from excited-state intramolecular proton transfer
Authors: Cheng Xin , Hu Huan , Wu Yu , Ma Zhimin , Ma Zhiyong
Published: May 2023

A novel mechanophore connected to polyurethane exhibits photo-gated polymer mechanochromism from excited-state intramolecular proton transfer.
Ruthenium-catalysed N-alkylation of anilines with primary carbohydrate alcohols via borrowing hydrogen strategy
Authors: Tsuge Kouki , Kubota Shunnichi , Sakamoto Kana , Kitayama Kenji , Nishimura Takahiro
Published: May 2023

Ruthenium-catalysed N-alkylation of anilines with primary carbohydrate alcohols efficiently proceeded via borrowing hydrogen strategy.
What about electrochemical behaviors for aurivillius-phase bismuth tungstate? Capacitive or pseudocapacitive
Authors: Gao Jian-Fei , Hou Jing-Feng , Kong Ling-Bin
Published: May 2023

Aurivillius-phase Bi2WO6 shows pseudocapacitive behavior, has great volumetric specific capacitance, and can be used as the carrier material for pseudocapacitive theoretical research and also expand the system of pseudocapacitive materials.
Small chromium-doped silicon clusters CrSin: structures, IR spectra, charge effect, magnetism and chirality
Authors: Nguyen-Ha Bao-Ngan , Pham Ngoc Thach , Claes Pieterjan , Lievens Peter , Fielicke André , Ngan Vu Thi , Nguyen Minh Tho , Janssens Ewald
Published: May 2023

The structures of cationic CrSin+ (n = 6–10) clusters were determined by complementary experimental and computation work. Some of the clusters were found to have pairs of enantiomeric isomers.
Computational investigations of stable multiple-cage-occupancy He clathrate-like hydrostructures
Authors: Yanes-Rodríguez Raquel , Prosmiti Rita
Published: May 2023

Computational investigations on helium clathrate hydrates: from fundamental knowledge to potential applications.
Insights into the enhanced hydrogen adsorption on M/La2O3 (M = Ni, Co, Fe)
Authors: Zhong Changyin , Yang Yifei , Fang Yun , Chen Jun , Feng Bomin , Wang Hongbing , Luo Wenhua , Yao Yunxi
Published: May 2023

Oxygen vacancies formed at the metal–oxide interfaces of M/La2O3 act as the receiving sites for the hydrogen atoms spilled over from the metal surfaces. The uptake of H atoms forms lanthanum oxyhydride-like species at the metal–oxide interfaces.
Theoretical prediction of valley spin splitting in two-dimensional Janus MSiGeZ4 (M = Cr and W; Z = N, P, and As)
Authors: Li Ying , Lan Mengxian , Wang Suen , Huang Tian , Chen Yu , Wu Hong , Li Feng , Pu Yong
Published: May 2023

Valley spin splitting value of WSiGeZ4 (Z = N, P, and As) can reach more than 400 meV. The Berry curvature of 2D Janus WSiGeP4 and WSiGeAs4 is as high as 300 Bohr2. In addition, its bandgap and valley spin splitting can be modulated by the strain engineering.
Tuning the lattice thermal conductivity of Sb2Te3 by Cr doping: a deep potential molecular dynamics study
Authors: Zhang Pan , Liao Wenkai , Zhu Ziyang , Qin Mi , Zhang Zhenhua , Jin Dan , Liu Yong , Wang Ziyu , Lu Zhihong , Xiong Rui
Published: May 2023

The lattice thermal conductivities of orderly and randomly Cr-doped Sb2Te3 are investigated using molecular dynamics simulations combined with a deep neural network potential.
Cation recognition controlled by protonation or chemical reduction: a computational study
Authors: Orenha Renato Pereira , Borges Alexandre , de Oliveira Andrade Ana Lívia , Ferreira Sergio Eduardo , Furtado Saulo Samuel Pereira , Glitz Vinícius Acir , Caramori Giovanni Finoto , Parreira Renato Luis Tame
Published: May 2023

Protonation or chemical reduction processes stimulate cation transport supported by non-covalent interactions. Herein, the potential of carboxylic acid and ferrocene crown ether structures for cation recognition has been compared and improved.
Frustrated amino functional group coupling with electric field makes CO2activation easier
Authors: Wu Nian
Published: May 2023

Constrained microenvironments at the atomic level constructed with substrates like Cu and chemical groups like CH3NH2coupled with an electric field provide a promising route to make CO2activation easier and controllable.
Structural, electronic and optical properties of BaRE6(Ge2O7)2(Ge3O10) (RE = Tm, Yb, Lu) compounds and BaYb6(Ge2O7)2(Ge3O10):Tm3+ and BaLu6(Ge2O7)2(Ge3O10):Yb3+,Tm3+ phosphors: potential applications in temperature sensing
Authors: Lipina Olga A. , Surat Ludmila L. , Chufarov Alexander Yu. , Baklanova Inna V. , Enyashin Andrey N. , Melkozerova Marina A. , Tyutyunnik Alexander P. , Zubkov Vladimir G.
Published: May 2023

New BaRE6(Ge2O7)2(Ge3O10), BaYb6(Ge2O7)2(Ge3O10):Tm3+ and BaLu6(Ge2O7)2(Ge3O10):Yb3+,Tm3+ germanates crystallizing in the monoclinic system (S.G. P21/m) have been characterized by various methods.
Manganese(iii) complexes stabilized with N-heterocyclic carbene ligands for alcohol oxidation catalysis
Authors: Rigoni Giacomo , Nylund Pamela V. S. , Albrecht Martin
Published: May 2023

Manganese(iii) complexes containing a bis(phenolate)carbene ligand catalyze the oxidation of alcohols and amines using tBuOOH as terminal oxidant. Mechanistic investigations indicate a Mn(v) oxo active species that induces hydrogen atom abstraction.
Boosting electrochemical methane conversion by oxygen evolution reactions on Fe–N–C single atom catalysts
Authors: Kim Cheolho , Min Heewon , Kim Junmin , Moon Jun Hyuk
Published: May 2023

Fe–N–C single atom catalysts (SACs) utilize active oxygen from the oxygen evolution reaction for efficient methane-to-ethanol conversion, achieving an ethanol production rate of 11 480.6 μmol gcat−1 h−1 in flow cell reactions.
A comprehensive review on oat milk: from oat nutrients and phytochemicals to its processing technologies, product features, and potential applications
Authors: Cui Lulu , Jia Qiuju , Zhao Jiani , Hou Dianzhi , Zhou Sumei
Published: May 2023

Plant-based milk alternatives have become increasingly desirable due to their sustainability and the increased consumer awareness of health.
Efficient conversion of chitin into 5-hydroxymethylfurfural via a simple formylation step under mild conditions
Authors: Gong Chunxiao , Ju Zhaoyang , Sheng Kuichuan , Zhang Ximing
Published: May 2023

A novel, sustainable, and efficient HMF production route from chitin was achieved via a simple formylation step under mild conditions.
6-Gingerol-derived semisynthetic analogs mitigate oxidative stress, and reverse acrylamide induced neurotoxicity in zebrafish
Authors: Manjunathan Tamilvelan , Guru Ajay , Haridevamuthu B. , Dandela Rambabu , Arokiaraj Jesu , Gopinath Pushparathinam
Published: May 2023

A semisynthetic strategy has been developed for the synthesis of novel 6-gingerol based analogs using simple and robust chemistries.
A novel carbazole-benzothiazole-based chemodosimeter for the chromogenic and fluorogenic recognition of CN−
Authors: Maji Atanu , Biswas Amitav , Das Akash , Gharami Saswati , Aich Krishnendu , Mondal Tapan K.
Published: May 2023

A novel colorimetric and fluorescent sensing probe, CBTA, was designed for the selective detection of CN−.
Fabrication and application of graphene oxide modified cyclodextrin chiral separation membranes
Authors: Zhu Yining , Li Xinmu , Bai Zhaoye , Zeng Yujia , Jiang Han , Bai Xiaoping , Li Ruijun
Published: May 2023

The performance of the mixed matrix membranes has been greatly improved by GO. High enantioselectivity was obtained for Trp (ee% = 58.72%) and Prop (ee% = 17.28%).
Synthesis of dual state emissive β-carboline boron complexes
Authors: Dutta Kartik , Agrawal Richa , Wadawale A. P. , Gamre Sunita , Mula Soumyaditya
Published: May 2023

Dual state emissive (DSE) dyes based on β-carboline boron complexes are synthesized which show tunable emission in both solution and solid state.
High-sensitivity NaYF4:Yb3+/Ho3+/Tm3+ phosphors for optical temperature sensing based on thermally coupled and non-thermally coupled energy levels
Authors: Cheng Zhenlong , Meng Mingzhou , Wang Jiaoyu , Li Zhuoyue , He Jiao , Liang Hao , Qiao Xin , Liu Yuanli , Ou Jun
Published: May 2023

The results show that the sensitivity of the NaYF4:Yb3+/Ho3+/Tm3+ phosphors to temperature measurement is enhanced as well as the resolution, and the simultaneous action of multiple coupling energy levels can further improve the temperature precision.
Surface-assisted self-assembly of 2D, DNA binary crystals
Authors: Liu Longfei , Mao Dake , Li Zhe , Zheng Mengxi , He Kai , Mao Chengde
Published: May 2023

Co-assembly of two different motifs provides a way to increase the structural complexity of DNA nanostructures.
Preparing liposomes through frame guided assembly with high-loading functional nucleic acids
Authors: Yuan Wei , Cheng Jiafeng , Zhu Chenyou , Dong Guizhi , Zhao Xiaoping , Meng Siwen , Liu Dongsheng , Dong Yuanchen
Published: May 2023

Size-controllable liposomes with high-loading functional nucleic acids were constructed though frame guided assembly strategy and gene inhibition was achieved, benefiting potential application of liposomes in delivering functional nucleic acids.
Organ-on-chip systems as a model for nanomedicine
Authors: Stavrou Marios , Phung Ngan , Grimm Jan , Andreou Chrysafis
Published: May 2023

Organ-on-chip systems recapitulate the form and function of biological organs in highly controlledin vitroconditions and have already been used for testing a variety of nanoparticles. Can they unlock the translational potential of nanomedicine?
Total synthesis of aspidostomide G from a brominated tryptamine
Authors: Wu Bo-You , Shih Fang-Yi , Tsai Yu-Tung , Chu Chia-Yen , Lin Cheng-Kun
Published: May 2023

Reported is the first total synthesis of aspidostomide G. The key feature of our approach is the installation of the 2-bromo group on the indole ring where an electron donating group is already present, which was achieved through the use of a 4-acetoxyindole analogue.
Tuning the luminescence of polyacrylonitriles by controlled polymerization
Authors: Li Xinyu , Chen Zijian , Shi Shiping , Yuan Jun , Sun Wen-wu , Liu Yiliu , Su Shi-jian , Loos Joachim , Liu Kunkun , Wen Tao
Published: May 2023

The intrinsic photoluminescence properties of polyacrylonitrile can be tuned by the polymerization methods used, giving a broad emission wavelength range from 400 nm to 630 nm.
Paired electrolysis enables decarboxylative coupling of alkenyl acids with diazo compounds
Authors: Jiao Jingchao , Yan Yapeng , Ke Qiumin , Zhang Yusen , Huang Hang , Gao Qianwen , Liu Jie , Wang Xi
Published: May 2023

Herein, we have reported an efficient and green paired electrolysis strategy for decarboxylative coupling of alkenyl acids with diazo compounds, providing a broad range of β,γ-alkenyl esters and amides.
Disulfide radical anion as a super-reductant in biology and photoredox chemistry
Authors: Zhu Qilei , Costentin Cyrille , Stubbe JoAnne , Nocera Daniel G.
Published: May 2023

Peak and half-peak potentials poorly approximate standard reduction potentials (E0), especially for compounds that dissociate upon reduction. We determine E0 of disulfides and show cysteine disulfide radical anion to be a powerful biological reductant.
Influence of Mo doping on interfacial charge carrier dynamics in photoelectrochemical water oxidation on BiVO4
Authors: Wu Xiaofeng , Oropeza Freddy E. , Qi Zheng , Einert Marcus , Tian Chuanmu , Maheu Clément , Lv Kangle , Hofmann Jan P.
Published: May 2023

Intensity of photocurrent during water oxidation in BiVO4 is predominantly limited by charge transfer resistance (Rct), rather than semiconductor bulk resistance (Rbulk). Mo doping of BiVO4 can slightly reduce Rbulk but obviously decreases Rct.
DFT study on a fluorine-functionalized nitrogen- and boron-doped triangulene as an electrocatalyst for the oxygen reduction reaction
Authors: Thiruppathiraja Thangaraj , Parameswaran Senthan Pugal Neelam , Lakshmipathi Senthilkumar
Published: May 2023

Developing catalyst materials alternative to platinum (Pt) for proton exchange membrane fuel cells (PEMFCs) is a necessary ongoing research direction.
Dual metal site-mediated efficient C–N coupling toward electrochemical urea synthesis
Authors: Paul Sourav , Sarkar Sougata , Adalder Ashadul , Banerjee Amitava , Ghorai Uttam Kumar
Published: May 2023

The dual metal sites of Co and Mo in a CoPc–MoS2 system mediate CO2 and N2 activation and result in a C–N coupling reaction to produce urea via an electrocatalytic pathway.
Multi-response upconverted ultraviolet-C photons for tagging and sterilization
Authors: Wang Chunzheng , Li Leipeng , Lv Pinshu , Zi Lingzhu , Feng Shiji , Yang Furong , Qiu Jianrong , Yang Yanmin
Published: May 2023

Ultraviolet-C emission is observed from Pr3+-doped SrSiO3via the upconversion mechanism upon irradiation of 450 nm photons. It is then successfully used for tagging and sterilization.
Highly efficient warm white light emission in Sb3+-doped (NH4)4CdCl6metal halides through A-site Rb-alloying regulation
Authors: Gao Yilin , Wei Qilin , Chang Tong , Ren Miao , Lou Yunfeng , Tian Zhengjie , Fan Yue , Yao Jiandong , Zou Bingsuo , Zeng Ruosheng
Published: May 2023

Novel all-inorganic Sb3+-doped (NH4)4CdCl6metal halides with excellent optoelectronic properties were prepared and efficient single component warm white light emission could be achieved through the A-site Rb alloying.
Correction: Solar-assisted all-solid supercapacitors using composite nanostructures of ZnO nanowires with GO and rGO
Authors: Altaf Cigdem Tuc , Rostas Arpad Mihai , Mihet Maria , Lazar Mihaela Diana , Iatsunskyi Igor , Coy Emerson , Erdem Emre , Sankir Mehmet , Sankir Nurdan Demirci
Published: May 2023

Correction for ‘Solar-assisted all-solid supercapacitors using composite nanostructures of ZnO nanowires with GO and rGO’ by Cigdem Tuc Altaf et al., J. Mater. Chem. C, 2022, 10, 10748–10758, https://doi.org/10.1039/D2TC02114E.