bluuebunny/crossref_metadata_2025 huggingface dataset:
Intravascular ultrasound-factors associated with slow flow following rotational atherectomy in heavily calcified coronary artery
Authors: Jinnouchi Hiroyuki , Sakakura Kenichi , Taniguchi Yousuke , Tsukui Takunori , Watanabe Yusuke , Yamamoto Kei , Seguchi Masaru , Wada Hiroshi , Fujita Hideo
Published: April 2022

Intravascular ultrasound (IVUS) can provide useful information in patients undergoing complex percutaneous coronary intervention with rotational atherectomy (RA). The association between IVUS findings and slow flow following rotational atherectomy (RA) has not been investigated, although slow flow has been shown to be an unfavorable sign with worse outcomes. The aim of this study was to determine the IVUS-factors associated with slow flow just after RA. We retrospectively enrolled 290 lesions (5316 IVUS-frames) with RA, which were divided into the slow flow group (n = 43 with 1029 IVUS-frames) and the non-slow flow group (n = 247 with 4287 IVUS-frames) based on the presence of slow flow. Multivariate regression analysis assessed the IVUS-factors associated with slow flow. Slow flow was significantly associated with long lesion length, the maximum number of reverberations [odds ratio (OR) 1.49; 95% confidence interval (CI) 1.07–2.07, p = 0.02] and nearly circumferential calcification at minimal lumen area (MLA) (≥ 300°) (OR, 2.21; 95% CI 1.13–4.32; p = 0.02). According to the maximum number of reverberations, the incidence of slow flow was 2.2% (n = 0), 11.9% (n = 1), 19.5% (n = 2), 22.5% (n = 3), and 44.4% (n = 4). In conclusion, IVUS findings such as longer lesion length, the maximum number of reverberations, and the greater arc of calcification at MLA may predict slow flow after RA. The operators need to pay more attention to the presence of reverberations to enhance the procedure safety.
Investigation of Fusobacterium Nucleatum in saliva and colorectal mucosa: a pilot study
Authors: Idrissi Janati Amal , Karp Igor , Von Renteln Daniel , Bouin Mickael , Liu Younan , Tran Simon D. , Emami Elham
Published: April 2022

As evidence has been linking the oral bacterium Fusobacterium nucleatum (F. nucleatum) to colorectal tumorigenesis, we aimed to produce preliminary data on the expression of F. nucleatum in both oral and colorectal body sites in cases diagnosed with colorectal neoplasms (CRN) and CRN-free controls. We conducted a pilot hospital-based case–control study among patients who underwent colonoscopy examination. Saliva samples and biopsies from healthy colon mucosa from CRN cases and CRN-free controls, and from tumors in cases, were collected, as well as data on periodontal condition and potential CRN risk factors. A total of 22 CRN cases and 21 CRN-free controls participated in this study, with a total of 135 biospecimens collected and analyzed by qPCR for detection and quantification of F. nucleatum. The detection rate of F. nucleatum was 95% in saliva samples and 18% in colorectal mucosa specimens. The median (95% CI) salivary F. nucleatum level was 0.35 (0.15–0.82) and 0.12 (0.05–0.65) in case and control groups, respectively, with a Spearman correlation of 0.64 (95% CI 0.2–0.94) between F. nucleatum level in saliva and healthy colorectal mucosa in controls. Our study results support the need for and the feasibility of further studies that aim to investigate the association between oral and colorectal levels of F. nucleatum in CRN cases and controls.

Clinical Relevance: Considering the current evidence linking F. nucleatum to colorectal carcinogenesis, investigating the role of oral F. nucleatum expression in its colorectal enrichment is crucial for colorectal cancer screening and prevention avenues.
Feedlot diets containing different starch levels and additives change the cecal proteome involved in cattle’s energy metabolism and inflammatory response
Authors: Rocha Leone Campos , Assunção Andrey Sávio de Almeida , Martins Renata Aparecida , de Carvalho Victor Valério , Perdigão Alexandre , Buzalaf Marília Afonso Rabelo , Adamec Jiri , Braga Camila Pereira , Millen Danilo Domingues , Vieira José Cavalcante Souza , Padilha Pedro de Magalhães
Published: April 2022

Diets for feedlot cattle must be a higher energy density, entailing high fermentable carbohydrate content. Feed additives are needed to reduce possible metabolic disorders. This study aimed to analyze the post-rumen effects of different levels of starch (25%, 35%, and 45%) and additives (monensin or a blend of essential oils and exogenous α-amylase) in diets for Nellore feedlot cattle. The cecum tissue proteome was analyzed via two-dimensional polyacrylamide gel electrophoresis (2D-PAGE) and then differentially expressed protein spots were identified with liquid chromatography–tandem mass spectrometry (LC–MS/MS). The use of blends of essential oils associated with α-amylase as a feed additive promoted the upregulation of enzymes such as triosephosphate isomerase, phosphoglycerate mutase, alpha-enolase, beta-enolase, fructose-bisphosphate aldolase, pyruvate kinase, glyceraldehyde-3-phosphate dehydrogenase (GAPDH), l-lactate dehydrogenase B, l-lactate dehydrogenase A chain, l-lactate dehydrogenase, and ATP synthase subunit beta, which promote the degradation of carbohydrates in the glycolysis and gluconeogenesis pathways and oxidative phosphorylation, support pyruvate metabolism through the synthesis of lactate from pyruvate, and participate in the electron transport chain, producing ATP from ADP in the presence of a proton gradient across the membrane. The absence of proteins related to inflammation processes (leukocyte elastase inhibitors) in the cecum tissues of animals fed essential oils and amylase may be because feed enzymes can remain active in the intestine and aid in the digestion of nutrients that escape rumen fermentation; conversely, the effect of monensin is more evident in the rumen and less than 10% results in post-ruminal action, corroborating the hypothesis that ionophore antibiotics have a limited effect on the microbiota and intestinal fermentation of ruminants. However, the increase in starch in these diets promoted a downregulation of enzymes linked to carbohydrate degradation, probably caused by damage to the cecum epithelium due to increased responses linked to inflammatory injuries.
Glycine amino acid transformation under impacts by small solar system bodies, simulated via high-pressure torsion method
Authors: Edalati Kaveh , Taniguchi Ikuo , Floriano Ricardo , Luchessi Augusto Ducati
Published: April 2022

Impacts by small solar system bodies (meteoroids, asteroids, comets and transitional objects) are characterized by a combination of energy dynamics and chemical modification on both terrestrial and small solar system bodies. In this context, the discovery of glycine amino acid in meteorites and comets has led to a hypothesis that impacts by astronomical bodies could contribute to delivery and polymerization of amino acids in the early Earth to generate proteins as essential molecules for life. Besides the possibility of abiotic polymerization of glycine, its decomposition by impacts could generate reactive groups to form other essential organic biomolecules. In this study, the high-pressure torsion (HPT) method, as a new platform for simulation of impacts by small solar system bodies, was applied to glycine. In comparison with high-pressure shock experiments, the HPT method simultaneously introduces high pressure and deformation strain. It was found that glycine was not polymerized in the experimental condition assayed, but partially decomposed to ethanol under pressures of 1 and 6 GPa and shear strains of < 120 m/m. The detection of ethanol implies the inherent availability of remaining nitrogen-containing groups, which can incorporate to the formation of other organic molecules at the impact site. In addition, this finding highlights a possibility of the origin of ethanol previously detected in comets.
Craniofacial morphology in Apert syndrome: a systematic review and meta-analysis
Authors: Alam Mohammad Khursheed , Alfawzan Ahmed Ali , Srivastava Kumar Chandan , Shrivastava Deepti , Ganji Kiran Kumar , Manay Srinivas Munisekhar
Published: April 2022

This meta-analysis aims to compare Apert syndrome (AS) patients with non-AS populations (not clinically or genetically diagnosed) on craniofacial cephalometric characteristics (CCC) to combine publicly available scientific information while also improving the validity of primary study findings. A comprehensive search was performed in the following databases: PubMed, Google Scholar, Scopus, Medline, and Web of Science, an article published between 1st January 2000 to October 17th, 2021. PRISMA (Preferred Reporting Items for Systematic Reviews and Meta-Analyses) guidelines were followed to carry out this systematic review. We used the PECO system to classify people with AS based on whether or not they had distinctive CCC compared to the non-AS population. Following are some examples of how PECO has been used: People with AS are labeled P; clinical or genetic diagnosis of AS is labeled E; individuals without AS are labeled C; CCC of AS are labeled O. Using the Newcastle–Ottawa Quality-Assessment-Scale, independent reviewers assessed the articles' methodological quality and extracted data. 13 studies were included in the systematic review. 8 out of 13 studies were score 7–8 in NOS scale, which indicated that most of the studies were medium to high qualities. Six case–control studies were analyzed for meta-analysis. Due to the wide range of variability in CCC, we were only able to include data from at least three previous studies. There was a statistically significant difference in N-S-PP (I2: 76.56%; P = 0.014; CI 1.27 to − 0.28) and Greater wing angle (I2: 79.07%; P = 0.008; CI 3.07–1.17) between AS and control subjects. Cleft palate, anterior open bite, crowding in the upper jaw, and hypodontia occurred more frequently among AS patients. Significant shortening of the mandibular width, height and length is the most reported feature in AS patients. CT scans can help patients with AS decide whether to pursue orthodontic treatment alone or to have their mouth surgically expanded. The role of well-informed orthodontic and maxillofacial practitioners is critical in preventing and rehabilitating oral health issues.
Risk factors for undergoing surgery in patients with newly diagnosed open-angle glaucoma
Authors: Lee Seung Jae , Lee Sang Ah , Lee Seungyeon , Bae Hyoung Won , Kim Chan Yun , Seong Gong Je , Park Jong Woon , Lee Kwanghyun
Published: April 2022

Despite the clinical importance of glaucoma surgery, studies on its prevalence and risk factors are limited. We analyzed a database comprising approximately 1,000,000 Korean residents to investigate the prevalence and risk factors for undergoing glaucoma surgery within 5 years of diagnosis with open-angle glaucoma. Of the 4,303 patients evaluated, 226 (5.3%) underwent glaucoma surgery. Factors associated with the likelihood of glaucoma surgery included the use of two or more eye drops (odds ratio [OR], 30.30; 95% confidence interval [CI], 10.95–83.84), intake of oral carbonic anhydrase inhibitor (OR, 1.79; 95% CI, 1.23–2.61), age > 55 years (55–65 years: OR, 1.71; 95% CI, 1.06–2.76; > 65 years: OR 1.72; 95% CI, 1.10–2.70), female sex (OR, 1.46; 95% CI, 1.10–1.94), middle- and high-income (OR, 2.36; 95% CI, 1.30–4.28, OR, 1.86; 95% CI, 1.03–3.35, respectively), and metropolitan residence (OR, 1.61; 95% CI, 1.14–2.26). Our nomogram for predicting the likelihood of glaucoma surgery showed an acceptable result. In conclusion, older age, female sex, and the intensity of intraocular pressure lowering treatment increased the likelihood of undergoing glaucoma surgery. Our findings indicated that a lower socioeconomic status may forestall receiving this necessary surgery, which requires further attention.
A novel method for identifying geomechanical parameters of rock masses based on a PSO and improved GPR hybrid algorithm
Authors: Yan Hanghang , Liu Kaiyun , Xu Chong , Zheng Wenbo
Published: April 2022

In view of the shortcomings of existing artificial neural network (ANN) and support vector regression (SVR) in the application of three-dimensional displacement back analysis, Gaussian process regression (GPR) algorithm is introduced to make up for the shortcomings of existing intelligent inversion methods. In order to improve the generality of the standard GPR algorithm with single kernel function, an improved Gaussian process regression (IGPR) algorithm with combined kernel function is proposed by adding two single kernel functions. In addition, in the training process of IGPR model, the particle swarm optimization (PSO) is combined with the IGPR model (PSO-IGPR) to optimize the parameters of the IGPR model. After the IGPR model can accurately map the relationship between geomechanical parameters and rock mass deformation, the PSO algorithm is directly used to search the best geomechanical parameters to match the deformation calculated by igpr model with the measured deformation of rock mass. The application case of Beikou tunnel shows that the combined kernel function GPR has higher identification accuracy than the single kernel function GPR and SVR model, the IGPR model with automatic correlation determination (ARD) kernel function can obtain higher identification accuracy than the IGPR model with isotropic (ISO) kernel function, and the PSO-IGPR hybrid model based on ARD kernel function has the highest identification accuracy. Therefore, this paper proposes a displacement back analysis method of the PSO-IGPR hybrid algorithm based on ARD kernel function, which can be used to identify the geomechanical parameters of rock mass and solve other engineering problems.
Re-thinking procurement incentives for electric vehicles to achieve net-zero emissions
Authors: Nunes Ashley , Woodley Lucas , Rossetti Philip
Published: April 2022

Procurement incentives are a widely leveraged policy lever to stimulate electric vehicle (EV) sales. However, their effectiveness in reducing transportation emissions depends on the behavioural characteristics of EV adopters. When an EV is used, under what conditions and by whom dictates whether or not these vehicles can deliver emissions reductions. Here, we document that replacing gasoline powered vehicles with EVs may—depending on behavioural characteristics—increase, not decrease, emissions. We further show that counterfactual vehicle inventory—how many vehicles a household would own absent an EV purchase—is an important influencer of these effects. We conclude that achieving emissions reductions using EVs requires redesigning procurement incentive programmes in a manner that (re)distributes incentives towards the second-hand EV market. Doing so would not only facilitate emissions reductions but also address fiscal prudency and regressivity concerns associated with these programmes.
Real-time structure search and structure classification for AlphaFold protein models
Authors: Aderinwale Tunde , Bharadwaj Vijay , Christoffer Charles , Terashi Genki , Zhang Zicong , Jahandideh Rashidedin , Kagaya Yuki , Kihara Daisuke
Published: April 2022

Last year saw a breakthrough in protein structure prediction, where the AlphaFold2 method showed a substantial improvement in the modeling accuracy. Following the software release of AlphaFold2, predicted structures by AlphaFold2 for proteins in 21 species were made publicly available via the AlphaFold Database. Here, to facilitate structural analysis and application of AlphaFold2 models, we provide the infrastructure, 3D-AF-Surfer, which allows real-time structure-based search for the AlphaFold2 models. In 3D-AF-Surfer, structures are represented with 3D Zernike descriptors (3DZD), which is a rotationally invariant, mathematical representation of 3D shapes. We developed a neural network that takes 3DZDs of proteins as input and retrieves proteins of the same fold more accurately than direct comparison of 3DZDs. Using 3D-AF-Surfer, we report structure classifications of AlphaFold2 models and discuss the correlation between confidence levels of AlphaFold2 models and intrinsic disordered regions.
Altered regulation of mesenchymal cell senescence in adipose tissue promotes pathological changes associated with diabetic wound healing
Authors: Kita Arisa , Saito Yuki , Miura Norihiro , Miyajima Maki , Yamamoto Sena , Sato Tsukasa , Yotsuyanagi Takatoshi , Fujimiya Mineko , Chikenji Takako S.
Published: April 2022

Pathologic diabetic wound healing is caused by sequential and progressive deterioration of hemostasis, inflammation, proliferation, and resolution/remodeling. Cellular senescence promotes wound healing; however, diabetic wounds exhibit low levels of senescent factors and accumulate senescent cells, which impair the healing process. Here we show that the number of p15INK4B + PDGFRα + senescent mesenchymal cells in adipose tissue increases transiently during early phases of wound healing in both non-diabetic mice and humans. Transplantation of adipose tissue from diabetic mice into non-diabetic mice results in impaired wound healing and an altered cellular senescence–associated secretory phenotype (SASP), suggesting that insufficient induction of adipose tissue senescence after injury is a pathological mechanism of diabetic wound healing. These results provide insight into how regulation of senescence in adipose tissue contributes to wound healing and could constitute a basis for developing therapeutic treatment for wound healing impairment in diabetes.
Structural validation and assessment of AlphaFold2 predictions for centrosomal and centriolar proteins and their complexes
Authors: van Breugel Mark , Rosa e Silva Ivan , Andreeva Antonina
Published: April 2022

Obtaining the high-resolution structures of proteins and their complexes is a crucial aspect of understanding the mechanisms of life. Experimental structure determination methods are time-consuming, expensive and cannot keep pace with the growing number of protein sequences available through genomic DNA sequencing. Thus, the ability to accurately predict the structure of proteins from their sequence is a holy grail of structural and computational biology that would remove a bottleneck in our efforts to understand as well as rationally engineer living systems. Recent advances in protein structure prediction, in particular the breakthrough with the AI-based tool AlphaFold2 (AF2), hold promise for achieving this goal, but the practical utility of AF2 remains to be explored. Focusing on proteins with essential roles in centrosome and centriole biogenesis, we demonstrate the quality and usability of the AF2 prediction models and we show that they can provide important insights into the modular organization of two key players in this process, CEP192 and CEP44. Furthermore, we used the AF2 algorithm to elucidate and then experimentally validate previously unknown prime features in the structure of TTBK2 bound to CEP164, as well as the Chibby1-FAM92A complex for which no structural information was available to date. These findings have important implications in understanding the regulation and function of these complexes. Finally, we also discuss some practical limitations of AF2 and anticipate the implications for future research approaches in the centriole/centrosome field.
Enhanced chiroptical responses through coherent perfect absorption in a parity-time symmetric system
Authors: Wu Hsin-Yu , Vollmer Frank
Published: April 2022

Coherent amplification of chiroptical activity from a molecularly-thin optically-active substance has been a long-standing challenge due to the inherently weak nature of chiral responses. Here we report how a coherent perfect absorber (CPA) enabled by an achiral optical system obeying parity-time (PT) symmetry has an enhanced ability to effectively sense molecular chirality of monolayered substances. We demonstrate that such a CPA-based PT-symmetric system enables us in complete darkness to probe a subtle signal change induced by the introduction of a small disturbance, such as adsorbed chiral monolayer, to the unperturbed PT-symmetric system, and allows for absolute measurement and quantitative detection of the magnitude and sign of both real and imaginary parts of the chirality parameter in a background-free environment. Moreover, the CPA-based PT-symmetric system also exhibits three orders of magnitude enhancement in chiroptical responses of molecules, which is consistent with analytical calculations of differential absorption.
A nutrient control on expanded anoxia and global cooling during the Late Ordovician mass extinction
Authors: Qiu Zhen , Zou Caineng , Mills Benjamin J. W. , Xiong Yijun , Tao Huifei , Lu Bin , Liu Hanlin , Xiao Wenjiao , Poulton Simon W.
Published: April 2022

Expanded ocean anoxia and global cooling have been invoked as major causal mechanisms for the Late Ordovician mass extinction, but the factors underpinning the extinction remain unresolved. Here, we document two intervals of particularly intense phosphorus recycling in marine rocks deposited across a bathymetric transect in the Yangtze Shelf Sea. The first occurred during the initial phase of the extinction and, coincident with global cooling, drove the development of ocean euxinia on the shelf. The second re-established shelf euxinia after the peak of glaciation, leading to the second phase of extinction. Integration of these data into a global biogeochemical model indicates that phosphorus recycling would have doubled the long-term burial rate of organic carbon, driving ~4°C of global cooling. Thus, through its impact on both the spread of anoxia and global cooling, extensive redox-promoted phosphorus recycling was a critical factor in Earth’s first catastrophic loss of animal life.
Whole-system analysis reveals high greenhouse-gas emissions from citywide sanitation in Kampala, Uganda
Authors: Johnson Jake , Zakaria Fiona , Nkurunziza Allan G. , Way Celia , Camargo-Valero Miller A. , Evans Barbara
Published: April 2022

Global estimates of emissions of greenhouse gasses do not take into account the complex service chain in rapidly growing cities in low- and middle-income countries. This paper presents an end-to-end analysis to estimate emissions from all stages of the sanitation-service chain, using Kampala in Uganda as an example. We show that emissions associated with long periods of storage of faecal waste in sealed anaerobic tanks (49%), discharge from tanks and pits direct to open drains (4%), illegal dumping of faecal waste (2%), leakage from sewers (6%), wastewater bypassing treatment (7%) and uncollected methane emissions at treatment plants (31%), are contributing to high levels of greenhouse-gas emissions. Sanitation in Kampala produces 189 kt CO2 e per year, which may represent more than half of the total city-level emissions. Significant further empirical and modelling work is required to update estimates of greenhouse-gas emissions from sanitation systems globally.
A framework to quantify mass flow and assess food loss and waste in the US food supply chain
Authors: Dong Wenquan , Armstrong Kristina , Jin Mingzhou , Nimbalkar Sachin , Guo Wei , Zhuang Jie , Cresko Joe
Published: April 2022

Reducing food loss and waste can improve the efficiency of food supply chains and provide food security. Here we estimate mass flow as well as food loss and waste along the US food supply chain for 10 commodity groups and nine management pathways to provide a baseline for designing efficient strategies to reduce, recycle, and recover food loss and waste. We estimate a total food loss and waste of 335.4 million metric tonnes from the U.S. food supply chain in 2016. Water evaporation (19%), recycling (55%), and landfill, incineration, or wastewater treatment (23%) accounted for most of the loss and waste. The consumption stage accounted for 57% of the food loss and waste disposed of through landfill, incineration, or wastewater treatment. Manufacturing was the largest contributor to food loss and waste (61%) but had a high recycling rate. High demand, perishable products accounted for 67% of food waste. We suggest that funding for infrastructure and incentives for earlier food donation can promote efficiency and sustainability of the supply chain, promote FLW collection and recycling along the U.S. FSC, and improve consumer education in order to move towards a circular economy.
A rapid antibody screening haemagglutination test for predicting immunity to SARS-CoV-2 variants of concern
Authors: Ertesvåg Nina Urke , Xiao Julie , Zhou Fan , Ljostveit Sonja , Sandnes Helene , Lartey Sarah , Sævik Marianne , Hansen Lena , Madsen Anders , Mohn Kristin G. I. , Fjelltveit Elisabeth , Olofsson Jan Stefan , Tan Tiong Kit , Rijal Pramila , Schimanski Lisa , Øyen Siri , Brokstad Karl Albert , Dunachie Susanna , Jämsén Anni , James William S. , Harding Adam C. , Harvala Heli , Nguyen Dung , Roberts David ,   PHE Virology group, Patel Monika , Gopal Robin , Zambon Maria ,   Oxford collaborative group, Wei Leiyan , Gilbert-Jaramillo Javier , Knight Michael L. , Vaughan-Jackson Alun , Dupont Maeva , Lamikanra Abigail A. , Klennerman Paul , Barnes Eleanor , Deeks Alexandra , Johnson Sile , Skelly Donal , Stafford Lizzie , Townsend Alain ,   Bergen COVID-19 Research Group, Tøndel Camilla , Kuwelker Kanika , Blomberg Bjørn , Bredholt Geir , Onyango Therese Bredholt , Vahokoski Juha , Bansal Amit , Trieu Mai Chi , Amdam Håkon , Akselsen Per Espen , Skorge Trude Duelien , Okkenhaug Liv Heiberg , Linchausen Dagrunn Waag , Langeland Nina , Cox Rebecca Jane
Published: April 2022

Background

Evaluation of susceptibility to emerging SARS-CoV-2 variants of concern (VOC) requires rapid screening tests for neutralising antibodies which provide protection.

Methods

Firstly, we developed a receptor-binding domain-specific haemagglutination test (HAT) to Wuhan and VOC (alpha, beta, gamma and delta) and compared to pseudotype, microneutralisation and virus neutralisation assays in 835 convalescent sera. Secondly, we investigated the antibody response using the HAT after two doses of mRNA (BNT162b2) vaccination. Sera were collected at baseline, three weeks after the first and second vaccinations from older (80–99 years, n = 89) and younger adults (23–77 years, n = 310) and compared to convalescent sera from naturally infected individuals (1–89 years, n = 307).

Results

Here we show that HAT antibodies highly correlated with neutralising antibodies (R = 0.72–0.88) in convalescent sera. Home-dwelling older individuals have significantly lower antibodies to the Wuhan strain after one and two doses of BNT162b2 vaccine than younger adult vaccinees and naturally infected individuals. Moverover, a second vaccine dose boosts and broadens the antibody repertoire to VOC in naïve, not previously infected older and younger adults. Most (72–76%) older adults respond after two vaccinations to alpha and delta, but only 58–62% to beta and gamma, compared to 96–97% of younger vaccinees and 68–76% of infected individuals. Previously infected older individuals have, similarly to younger adults, high antibody titres after one vaccination.

Conclusions

Overall, HAT provides a surrogate marker for neutralising antibodies, which can be used as a simple inexpensive, rapid test. HAT can be rapidly adaptable to emerging VOC for large-scale evaluation of potentially decreasing vaccine effectiveness.
An olfactory self-test effectively screens for COVID-19
Authors: Snitz Kobi , Honigstein Danielle , Weissgross Reut , Ravia Aharon , Mishor Eva , Perl Ofer , Karagach Shiri , Medhanie Abebe , Harel Nir , Shushan Sagit , Roth Yehudah , Iravani Behzad , Arshamian Artin , Ernst Gernot , Okamoto Masako , Poo Cindy , Bonacchi Niccolò , Mainen Zachary , Monteleone Erminio , Dinnella Caterina , Spinelli Sara , Mariño-Sánchez Franklin , Ferdenzi Camille , Smeets Monique , Touhara Kazushige , Bensafi Moustafa , Hummel Thomas , Lundström Johan N. , Sobel Noam
Published: April 2022

Background

Key to curtailing the COVID-19 pandemic are wide-scale screening strategies. An ideal screen is one that would not rely on transporting, distributing, and collecting physical specimens. Given the olfactory impairment associated with COVID-19, we developed a perceptual measure of olfaction that relies on smelling household odorants and rating them online.

Methods

Each participant was instructed to select 5 household items, and rate their perceived odor pleasantness and intensity using an online visual analogue scale. We used this data to assign an olfactory perceptual fingerprint, a value that reflects the perceived difference between odorants. We tested the performance of this real-time tool in a total of 13,484 participants (462 COVID-19 positive) from 134 countries who provided 178,820 perceptual ratings of 60 different household odorants.

Results

We observe that olfactory ratings are indicative of COVID-19 status in a country, significantly correlating with national infection rates over time. More importantly, we observe indicative power at the individual level (79% sensitivity and 87% specificity). Critically, this olfactory screen remains effective in participants with COVID-19 but without symptoms, and in participants with symptoms but without COVID-19.

Conclusions

The current odorant-based olfactory screen adds a component to online symptom-checkers, to potentially provide an added first line of defense that can help fight disease progression at the population level. The data derived from this tool may allow better understanding of the link between COVID-19 and olfaction.
GuRhaGT, a highly specific saponin 2′′-O-rhamnosyltransferase fromGlycyrrhiza uralensis
Authors: Wang Zi-Long , Zhou Jia-Jing , Han Bo-Yun , Hasan Aobulikasimu , Zhang Ya-Qun , Zhang Jia-He , Wang Hai-Dong , Li Bin , Qiao Xue , Ye Min
Published: April 2022

GuRhaGT is the first saponin 2′′-O-rhamnosyltransferase with broad substrate promiscuity, high sugar donor- and regio-specificity. It could be an efficient biocatalyst for the synthesis of bioactive saponins.
Preparation and controllable prelithiation of core–shell SnOx@C composites for high-performance lithium-ion batteries
Authors: Ma Chengshuai , Wang Bo , Zhang Tianren , Jin Fan , Lu Yang , Chen Yujia , Ren Zhenhong , Jia Zhen , Zheng Chuan , Fang Jiahui , Li Jingxuan , Wang Dianlong
Published: April 2022

The carbon coated SnOx with adjustable composition and coating thickness was firstly prepared. The initial coulombic efficiency and cycle stability were improved by chemical prelithiation and the full-cell showed better cycling and rate performance.
Structures and electronic states of trimer radical cations of coronene: DFT–ESR simulation study
Authors: Tachikawa Hiroto , Lund Anders
Published: April 2022

The trimer radical cation of coronene has a stacking structure distorted from the full overlap form.
Revealing the effect of intramolecular interactions on DNA SERS detection: SERS capability for structural analysis
Authors: Bao Ying , Zhang Xiaonong , Xiang Xiaoxuan , Zhang Yujing , Zhao Bing , Guo Xinhua
Published: April 2022

The GCGC-quadruplex, G-quadruplex and duplex are selected as models to study the effect of various hydrogen bonds and base stacking based on SERS band intensity, shift and appearance to verify the reliability of SERS detection.
Adsorption and exchange reactions of iodine molecules at the alumina surface: modelling alumina-iodine reaction mechanisms
Authors: Miller Kelsea K. , de Rezende Armando , Aquino Adelia J. A. , Tunega Daniel , Pantoya Michelle L.
Published: April 2022

Hydroxyl sites on alumina provide energetically favorable surface adsorption for all iodine species and promote aluminum oxidation reactions.
Mediation of water-soluble oligoaniline by phenol in the aniline–persulfate system under alkaline conditions
Authors: Xiao Jing , Wang Cong , Feng Bai-Qi , Liu Tian-Yu , Jia Shao-Yi , Ren Hai-Tao , Liu Yong , Wu Song-Hai , Han Xu
Published: April 2022

Our study indicates that phenol mediates the production of the water-soluble OANI in aniline–SPS system. The high scavenging reactivity of phenol towards both PhNH2˙+ and PhNH˙ implies that phenol brings a new pathway for the oxidation of aniline.
Predicting glass transition temperature and melting point of organic compounds via machine learning and molecular embeddings
Authors: Galeazzo Tommaso , Shiraiwa Manabu
Published: April 2022

We developed tgBoost a machine learning model to predict glass transition temperature (Tg) of organic species considering their molecular structure and functionality for better predictions of the phase state of secondary organic aerosols.
Membrane-less amphoteric decoupled water electrolysis using WO3 and Ni(OH)2 auxiliary electrodes
Authors: Vanags Martins , Kulikovskis Guntis , Kostjukovs Juris , Jekabsons Laimonis , Sarakovskis Anatolijs , Smits Krisjanis , Bikse Liga , Šutka Andris
Published: April 2022

In the amphoteric membrane-less decoupled water electrolysis, hydrogen and oxygen are co-produced in separate cells with higher energy efficiency. Ion exchange is mediated by the auxiliary electrodes – HxWO3 for acid and NiOOH for alkaline cell.
Drivers of variability in disinfection by-product formation potential in a chain of thermally stratified drinking water reservoirs
Authors: Munthali Elias , Marcé Rafael , Farré Maria José
Published: April 2022

Increasing hydraulic residence time (HRT) along a chain of interconnected reservoirs enhances the formation potential of carbonaceous disinfection by-products (DBPs) and reduces the formation potential of nitrogenous DBPs, particularly N-nitrosodimethylamine (NDMA).
Significance of atomic-scale defects in flexible surfaces on local solvent and ion behaviour
Authors: Marinova Veselina , Freeman Colin L. , Harding John H.
Published: April 2022

This paper investigates the significance of atomic-scale surface defects on the mobility of ions. Findings suggest that certain topological features can act as active sites to promote ion clustering and increase local ionic concentration.
Association between non-tea flavonoid intake and risk of type 2 diabetes: the Australian diabetes, obesity and lifestyle study
Authors: Adu Mary D. , Bondonno Catherine P. , Parmenter Benjamin H. , Sim Marc , Davey Raymond J. , Murray Kevin , Radavelli-Bagatini Simone , Magliano Dianna J. , Daly Robin M. , Shaw Jonathan E. , Lewis Joshua R. , Hodgson Jonathan M. , Bondonno Nicola P.
Published: April 2022

This study provides evidence that consuming flavonoid-rich food may be protective against type 2 diabetes (T2DM) through mechanisms related to better glucose tolerance and insulin sensitivity.
High-sensitivity and field analysis of lead by portable optical emission spectrometry using a microplasma trap
Authors: Zhang Yaru , Liu Jixin , Mao Xuefei , Na Xing , Tian Di , Qian Yongzhong
Published: April 2022

A novel field analysis method for analysing Pb in environmental water samples was developed using a portable optical emission spectrometric instrument coupled with solid acid hydride generation and an in situ dielectric barrier discharge trap.
Superatomic salts with controlled ionicity
Authors: Sengupta Turbasu , Khanna Shiv N.
Published: April 2022

Controlling the bonding characteristics of ligated Rh6S8 dimeric salts by varying electronic properties of the attached ligands.
The role of surface oxides and stabilising carboxylic acids of copper nanoparticles during low-temperature sintering
Authors: Tokura Rintaro , Tsukamoto Hiroki , Tokunaga Tomoharu , Nguyen Mai Thanh , Yonezawa Tetsu
Published: April 2022

1-Hexanoic acid stabilised copper nanoparticles were obtained. Cu64O phase could be found on the particle surface. During sintering, the stabilising molecule, 1-hexanoic acid, reduced Cu64O to Cu and it introduced neckings between the particles.
Enhanced near-field coupling and tunable topological transitions in hyperbolic van der Waals metasurfaces for optical nanomanipulation
Authors: Wang Xueli , Chang Kaili , Liu Weitao , Wang Hongqin , Chen Junying , Liu Kaihui , Chen Jianing , Chen Ke
Published: April 2022

Hyperbolic metasurfaces based on nanostructured van der Waals materials support propagation of extremely anisotropic polaritons towards nanoscale light compression and manipulation in the fields of meta-optics, nanophotonics, and spectroscopy.
Decatungstate-photocatalyzed direct coupling of inert alkanes and quinoxalin-2(1H)-ones with H2 evolution
Authors: Yuan Xiao-Ya , Si Ya-Feng , Li Xiang , Wu Shao-Jie , Zeng Fan-Lin , Lv Qi-Yan , Yu Bing
Published: April 2022

A tetrabutylammonium decatungstate (TBADT)-photocatalyzed direct coupling of inert alkanes and quinoxalin-2(1H)-ones with H2 evolution was developed at room temperature.
Precisely synthesized segmented polyurethanes toward block sequence-controlled drug delivery
Authors: Song Yuanqing , Sun Chuandong , Tian Chenxu , Ming Hao , Wang Yanjun , Liu Wenkai , He Nan , He Xueling , Ding Mingming , Li Jiehua , Luo Feng , Tan Hong , Fu Qiang
Published: April 2022

Polyurethanes (PUs) with different segment sequence orders are prepared using a precise synthetic platform, and the sequence order of functional segments plays a crucial role in regulating the surface charges and performance of nano-drug carriers.
An ultrasensitive electrochemical sensing platform based on silver nanoparticle-anchored 3D reduced graphene oxide for rifampicin detection
Authors: Zhang Qing , Ma Shangshang , Zhuo Xin , Wang Cong , Wang Hongyan , Xing Yuying , Xue Qingyuan , Zhang Keying
Published: April 2022

An accurate and reliable electrochemical sensor based on Ag NPs/3D rGO composites for ultrasensitive determination of rifampicin (RIF) is proposed and shows great potential application in clinical diagnosis, pharmaceuticals and food-related fields.
Photothermal-enhanced antibacterial and antioxidant hydrogel dressings based on catechol-modified chitosan-derived carbonized polymer dots for effective treatment of wound infections
Authors: Lu Haojie , Liu Jing , Yu Meizhe , Li Peili , Huang Ruobing , Wu Wenzhen , Hu Zunhan , Xiao Yuhong , Jiang Feng , Xing Xiaodong
Published: April 2022

Multifunctional carbonized polymer dots (CPDs) decorated antibacterial and antioxidant hydrogels for effective treatment of wound infections.
Green synthesis of broccoli-derived carbon quantum dots as effective photosensitizers for the PDT effect testified in the model of mutant Caenorhabditis elegans
Authors: Elsherbiny Shereen M. , Shao Changsheng , Acheampong Adolf , Khalifa Mahmoud A. , Liu Chao , Huang Qing
Published: April 2022

This research provides a new photodynamic agent and introduces C. elegans as an easy and high-throughput model for the rapid evaluation of the efficiency of PDT.
Glycomimetic ligands block the interaction of SARS-CoV-2 spike protein with C-type lectin co-receptors
Authors: Pollastri Sara , Delaunay Clara , Thépaut Michel , Fieschi Franck , Bernardi Anna
Published: April 2022

DC-SIGN and its analogue L-SIGN work as co-receptors in many viral infections, including by SARS-CoV-2. Here we describe the first group of small-molecule glycomimetics that bind to L-SIGN, as well as to DC-SIGN, with micromolar affinity.
In situ optical spectroscopy for monitoring plasma-assisted formation of lanthanide metal–organic frameworks
Authors: Wen Xiaohui , Luo Yanju , Deng Yujia , Zeng Xiaoliang , Tian Yunfei , He Juan , Hou Xiandeng
Published: April 2022

Monitoring the DBD synthesis of Ln-MOFs can be realized using time-resolved measurements of luminescence and scattering spectra.
Straightforward synthesis of bench-stable heteroatom-centered difluoromethylated entities via controlled nucleophilic transfer from activated TMSCHF2
Authors: Miele Margherita , Castoldi Laura , Simeone Xenia , Holzer Wolfgang , Pace Vittorio
Published: April 2022

The commercially available difluoromethyltrimethylsilane acts as a valuable difluoromethylating agent for heteroatom-based electrophiles. Upon activation with an alkoxide, a nucleophilic displacement furnishes the corresponding bench-stable analogues.
A ferric guest inside a spin crossover ferrous helicate
Authors: Barrios Leoní A. , Diego Rosa , Darawsheh Mohanad , Martínez Jesús I. , Roubeau Oliver , Aromí Guillem
Published: April 2022

Encapsulation of an Fe(iii) tris-oxalate coordination complex inside an Fe(ii) metallosupramolecular helicate drastically reduces the quantum coherence of the ferricS= 5/2 spin of this ion.
Recent trends in organic cage synthesis: push towards water-soluble organic cages
Authors: Chakraborty Debsena , Mukherjee Partha Sarathi
Published: April 2022

This review highlights the recent trends in synthesis of organic cages including advantages and drawbacks of the different methodologies used. It also details the recent development in the field of water-soluble organic cages.
Green synthesis of the battery material lithium sulfide via metathetic reactions
Authors: Fang Liran , Zhang Qiaran , Han Aiguo , Zhao Zixiang , Hu Xiaohu , Wan Fengming , Yang Haoyu , Song Dawei , Zhang Xin , Yang Yongan
Published: April 2022

An innovative method that abides by all the standards of green chemistry for synthesizing high-purity lithium sulfide.
A short total synthesis of (±)-mersicarpine via visible light-induced cascade photooxygenation
Authors: Frahm Mario , Voss Alice , Brasholz Malte
Published: April 2022

A short synthesis of the Kopsia alkaloid (±)-mersicarpine is enabled by the visible light-driven photooxygenation of a tetrahydrocarbazole, generating a perhydropyrido[1,2-a]indole dione as the immediate precursor to the natural product.
SHARPER-enhanced benchtop NMR: improving SNR by removing couplings and approaching natural linewidths
Authors: Dickson Claire L. , Peat George , Rossetto Matheus , Halse Meghan E. , Uhrín Dušan
Published: April 2022

A signal enhancement acquisition and processing strategy for benchtop NMR producing 10 to 30 fold signal-to-noise increases is presented.
Lanthanide-organic pincer hosts with allosteric-controlled metal ion binding specificity
Authors: Jiang Chen , Hu Shao-Jun , Zhou Li-Peng , Yang Jian , Sun Qing-Fu
Published: April 2022

A series of lanthanide-organic pincer hosts with a fine-tuned binding cavity were constructed showing allosteric-controlled metal ion binding specificity.
An analysis of Schottky barrier in silicene/Ga2SeS heterostructures by employing electric field and strain
Authors: Caglayan R. , Guler H. E. , Mogulkoc Y.
Published: April 2022

Under external field effects such as electric field and biaxial strain, the n-type/p-type Schottky barrier transitions of the silicene/Ga2SeS heterostructure indicate that device performance can be adjusted with Janus 2D materials.
Recovery of enzyme structure and activity following rehydration from ionic liquid
Authors: Lee Pei-Yin , Singh Onkar , Bermudez Harry , Matysiak Silvina
Published: April 2022

Lysozyme activity is recovered after rehydration from high IL content due to the leaving of the cations near the active site.
Insights in the vibrational optical activity spectra of the antibiotic vancomycin in DMSO
Authors: Aerts Roy , Bogaerts Jonathan , Herrebout Wouter , Johannessen Christian
Published: April 2022

The solution structure of the antibiotic vancomycin is studied in DMSO, allowing for a direct comparison of measurements done using Raman optical activity and vibrational circular dichroism. In this case, ROA wins!
Infrared analysis of catalytic CO2 reduction in hydrogenated germanium
Authors: de Vrijer Thierry , Smets Arno H. M.
Published: April 2022

Based on infrared analysis, a two-step process is proposed of first oxidation by water followed by the catalytic reduction of CO2, on amorphous and nanocrystalline hydrogenated germanium films, to products like CO, formic acid and formaldehyde.
Quantum simulations of thermally activated delayed fluorescence in an all-organic emitter
Authors: Francese Tommaso , Kundu Arpan , Gygi Francois , Galli Giulia
Published: April 2022

The prototypical NAI-DMAC TADF emitter is investigated in the gas phase- and high-packing fraction limits at finite temperature, by combining first principles molecular dynamics with a quantum thermostat to account for nuclear quantum effects (NQE).
Catalytic properties of the ferryl ion in the solid state: a computational review
Authors: Saiz Fernan , Bernasconi Leonardo
Published: April 2022

This review summarises the last findings in the emerging field of heterogeneous catalytic oxidation of light alkanes by ferryl species supported on solid-state systems such as the conversion of methane into methanol by FeO-MOF74.
Iodine-promoted insertion of the oxygen atom from water in η4-vinylketene[Fe(CO)3] complexes
Authors: González-López Vianney , Resendiz-Lara Diego A. , Rosas-Sánchez Alfredo , Ledesma-Olvera Lydia G. , Daran Jean-Claude , Barquera-Lozada José E. , López-Cortés José G. , Ortega-Alfaro M. Carmen
Published: April 2022

Iodine promotes thein situformation of iron(ii) species from η4-vinylketene[Fe(CO)3] as a key intermediate for the synthesis of 2(5H)-furanones by a sequential water insertion/carbon–oxygen coupling.
Quantum entanglement control of electron–phonon systems by light irradiation
Authors: Ishida Kunio , Matsueda Hiroaki , Kamada Akira
Published: April 2022

The coherent control dynamics of interacting electron–phonon and qubit–spin systems is numerically studied. The time-evolution of the quantum many-body states is revealed from a viewpoint of quantum entanglement.
Recent advances in the chemical valorization of cellulose and its derivatives into ester compounds
Authors: Xu Zhong-Ming , Luo Jin-Yue , Huang Yao-Bing
Published: April 2022

This review highlights recent advances in the conversion of cellulose and its derivatives (monosaccharides and platform molecules) into ester chemicals.
Advances in morphology control of organic semiconductor enabled organic transistor-based chemical sensors
Authors: Zhi Danfeng , Zhang Enyu , Zhang Boya , Zhang Fengjiao
Published: April 2022

This review summarized the fundamentals and recent developments of organic semiconductor morphology dependent organic-transistor-based chemical sensors, which also gives corresponding strategies toward high-performance device construction.
Donor–acceptor π-conjugated polymers based on terthiophene-3,4-dicarboxylate, dithienopyrrolobenzothiadiazole and thieno[3,4-c]pyrrole-4,6-dione units and their hole mobility
Authors: Kadam Vinay S. , Machhi Hiren K. , Soni Saurabh S. , Zade Sanjio S. , Patel Arun L.
Published: April 2022

We have synthesized three different p-type donor–acceptor π-conjugated polymers based on diethyl [2,2′:5′,2′′-terthiophene]-3′,4′-dicarboxylate, dithienopyrrolobenzothiadiazole and thieno[3,4-c]pyrrole-4,6-dione units.
Combined virtual and experimental screening of multicomponent crystals of 2,4-dichlorophenoxyacetic acid
Authors: Li Jiulong , Li Chang , Ji Xu , Sun Qin , Li Zhi , Liu He , Zhou Lina , Jing Dingding , Gong Junbo , Chen Wei
Published: April 2022

Efficient screening of 2,4-D multicomponent crystals by COSMO-RS and molecular complementarity analysis combined with liquid-assisted grinding.
Rational design of ruddlesden–popper phase Mn2SnO4for ultra-sensitive and highly selective detection of chloramphenicol in real-life samples
Authors: Palpandi Karuppaiya , Bhuvaneswari Chellapandi , Babu Sundaram Ganesh , Raman Natarajan
Published: April 2022

A low-cost and eco-friendly Mn2SnO4/GCE electrochemical sensor was fabricated to detect chloramphenicol present in milk powder and eye drops.
Ultrastable radicals in naphthalenediimide-based materials and their stimulus-boosting near-infrared photothermal conversion
Authors: Ke Hua , Zhu Xin-Mei , Xie Shu-Mei , Ming Ping-Xiang , Liao Jian-Zhen
Published: April 2022

Ultrastable radicals in NDI-based crystals are formed by intrinsic electron transfer. Extra light or heat can effectively promote electron transfer, leading to more air-, light- and heat-stable radicals with efficient NIR photothermal conversion.
Photo induced force microscopy: chemical spectroscopy beyond the diffraction limit
Authors: Davies-Jones Josh A. , Davies Philip R.
Published: April 2022

Over the last decade remarkable advances have been made in creating spectroscopic tools to interrogate surface properties using electromagnetic radiation in the near field, achieving lateral resolutions in the nanometre range.