bluuebunny/crossref_metadata_2025 huggingface dataset:
Counterfactual time series analysis of short-term change in air pollution following the COVID-19 state of emergency in the United States
Authors: Dey Tanujit , Tyagi Pooja , Sabath M. Benjamin , Kamareddine Leila , Henneman Lucas , Braun Danielle , Dominici Francesca
Published: December 2021

Lockdown measures implemented in response to the COVID-19 pandemic produced sudden behavioral changes. We implement counterfactual time series analysis based on seasonal autoregressive integrated moving average models (SARIMA), to examine the extent of air pollution reduction attained following state-level emergency declarations. We also investigate whether these reductions occurred everywhere in the US, and the local factors (geography, population density, and sources of emission) that drove them. Following state-level emergency declarations, we found evidence of a statistically significant decrease in nitrogen dioxide (NO2) levels in 34 of the 36 states and in fine particulate matter (PM2.5) levels in 16 of the 48 states that were investigated. The lockdown produced a decrease of up to 3.4 µg/m3 in PM2.5 (observed in California) with range (− 2.3, 3.4) and up to 11.6 ppb in NO2 (observed in Nevada) with range (− 0.6, 11.6). The state of emergency was declared at different dates for different states, therefore the period "before" the state of emergency in our analysis ranged from 8 to 10 weeks and the corresponding "after" period ranged from 8 to 6 weeks. These changes in PM2.5 and NO2 represent a substantial fraction of the annual mean National Ambient Air Quality Standards (NAAQS) of 12 µg/m3 and 53 ppb, respectively. As expected, we also found evidence that states with a higher percentage of mobile source emissions (obtained from 2014) experienced a greater decline in NO2 levels after the lockdown. Although the socioeconomic restrictions are not sustainable, our results provide a benchmark to estimate the extent of achievable air pollution reductions. Identification of factors contributing to pollutant reduction can help guide state-level policies to sustainably reduce air pollution.
A population based expression atlas provides insights into disease resistance and other physiological traits in cassava (Manihot esculenta Crantz)
Authors: Ogbonna Alex C. , Ramu Punna , Esuma Williams , Nandudu Leah , Morales Nicolas , Powell Adrian , Kawuki Robert , Bauchet Guillaume , Jannink Jean-Luc , Mueller Lukas A.
Published: December 2021

Cassava, a food security crop in Africa, is grown throughout the tropics and subtropics. Although cassava can provide high productivity in suboptimal conditions, the yield in Africa is substantially lower than in other geographies. The yield gap is attributable to many challenges faced by cassava in Africa, including susceptibility to diseases and poor soil conditions. In this study, we carried out 3’RNA sequencing on 150 accessions from the National Crops Resources Research Institute, Uganda for 5 tissue types, providing population-based transcriptomics resources to the research community in a web-based queryable cassava expression atlas. Differential expression and weighted gene co-expression network analysis were performed to detect 8820 significantly differentially expressed genes (DEGs), revealing similarity in expression patterns between tissue types and the clustering of detected DEGs into 18 gene modules. As a confirmation of data quality, differential expression and pathway analysis targeting cassava mosaic disease (CMD) identified 27 genes observed in the plant–pathogen interaction pathway, several previously identified CMD resistance genes, and two peroxidase family proteins different from theCMD2gene. Present research work represents a novel resource towards understanding complex traits at expression and molecular levels for the development of resistant and high-yielding cassava varieties, as exemplified with CMD.
Energetic and reproductive costs of coral recovery in divergent bleaching responses
Authors: Leinbach Sarah E. , Speare Kelly E. , Rossin Ashley M. , Holstein Daniel M. , Strader Marie E.
Published: December 2021

Mass thermal bleaching events are a primary threat to coral reefs, yet the sublethal impacts, particularly on energetics and reproduction, are poorly characterized. Given that the persistence of coral populations is contingent upon the reproduction of individuals that survive disturbances, there is an urgent need to understand the sublethal effects of bleaching on reproductive output to accurately predict coral recovery rates. In 2019, the French Polynesian island of Mo’orea experienced a severe mass bleaching event accompanied by widespread coral mortality. At the most heavily impacted sites, we observed Acropora hyacinthus individuals that were resistant to bleaching, alongside colonies that bleached but showed signs of symbiont recovery shortly after the bleaching event. We collected fragments from A. hyacinthus colonies five months post-bleaching and, using energetic assays and histological measurements, examined the physiological and reproductive consequences of these two distinct heat stress responses. Despite healthy appearances in both resistant and recovered corals, we found that recovered colonies had significantly reduced energy reserves compared to resistant colonies. In addition, we detected compound effects of stress on reproduction: recovered colonies displayed both a lower probability of containing gametes and lower fecundity per polyp. Our results indicate that bleaching inflicts an energetic constraint on the concurrent re-accumulation of energy reserves and development of reproductive material, with decreased reproductive potential of survivors possibly hampering overall reef resilience. These findings highlight the presence of intraspecific responses to bleaching and the importance of considering multiple trajectories for individual species when predicting population recovery following disturbance.
Social and emotion dimensional organizations in the abstract semantic space: the neuropsychological evidence
Authors: Wang Xiaosha , Li Guochao , Zhao Gang , Li Yunqian , Wang Bijun , Lin Ching-Po , Liu Xinrui , Bi Yanchao
Published: December 2021

An essential aspect of human cognition is supported by a rich reservoir of abstract concepts without tangible external referents (e.g., “honor”, “relationship”, “direction”). While decades of research showed that the neural organization of conceptual knowledge referring to concrete words respects domains of evolutionary salience and sensorimotor attributes, the organization principles of abstract word meanings are poorly understood. Here, we provide neuropsychological evidence for a domain (sociality) and attribute (emotion) structure in abstract word processing. Testing 34 brain-damaged patients on a word-semantic judgment task, we observed double dissociations between social and nonsocial words and a single dissociation of sparing of emotional (relative to non-emotional) words. The lesion profiles of patients with specific dissociations suggest potential neural correlates positively or negatively associated with each dimension. These results unravel a general domain-attribute architecture of word meanings and highlight the roles of the social domain and the emotional attribute in the non-object semantic space.
Projecting seismicity induced by complex alterations of underground stresses with applications to geothermal systems
Authors: Cacace M. , Hofmann H. , Shapiro S. A.
Published: December 2021

Seismicity associated with subsurface operations is a major societal concern. It is therefore critical to improve predictions of the induced seismic hazard. Current statistical approaches account for the physics of pore pressure increase only. Here, we present a novel mathematical model that generalises adopted statistics for use in arbitrary injection/production protocols and applies to arbitrary physical processes. In our model, seismicity is driven by a normalised integral over the spatial reservoir volume of induced variations in frictional Coulomb stress, which—combined with the seismogenic index—provides a dimensionless proxy of the induced seismic hazard. Our model incorporates the classical pressure diffusion based and poroelastic seismogenic index models as special cases. Applying our approach to modeling geothermal systems, we find that seismicity rates are sensitive to imposed fluid-pressure rates, temperature variations, and tectonic conditions. We further demonstrate that a controlled injection protocol can decrease the induced seismic risk and that thermo-poroelastic stress transfer results in a larger spatial seismic footprint and in higher-magnitude events than does direct pore pressure impact for the same amount of injected volume and hydraulic energy. Our results, validated against field observations, showcase the relevance of the novel approach to forecast seismic hazards induced by subsurface activities.
Quantum deep reinforcement learning for clinical decision support in oncology: application to adaptive radiotherapy
Authors: Niraula Dipesh , Jamaluddin Jamalina , Matuszak Martha M. , Haken Randall K. Ten , Naqa Issam El
Published: December 2021

Subtle differences in a patient’s genetics and physiology may alter radiotherapy (RT) treatment responses, motivating the need for a more personalized treatment plan. Accordingly, we have developed a novel quantum deep reinforcement learning (qDRL) framework for clinical decision support that can estimate an individual patient’s dose response mid-treatment and recommend an optimal dose adjustment. Our framework considers patients’ specific information including biological, physical, genetic, clinical, and dosimetric factors. Recognizing that physicians must make decisions amidst uncertainty in RT treatment outcomes, we employed indeterministic quantum states to represent human decision making in a real-life scenario. We paired quantum decision states with a model-based deep q-learning algorithm to optimize the clinical decision-making process in RT. We trained our proposed qDRL framework on an institutional dataset of 67 stage III non-small cell lung cancer (NSCLC) patients treated on prospective adaptive protocols and independently validated our framework in an external multi-institutional dataset of 174 NSCLC patients. For a comprehensive evaluation, we compared three frameworks: DRL, qDRL trained in a Qiskit quantum computing simulator, and qDRL trained in an IBM quantum computer. Two metrics were considered to evaluate our framework: (1) similarity score, defined as the root mean square error between retrospective clinical decisions and the AI recommendations, and (2) self-evaluation scheme that compares retrospective clinical decisions and AI recommendations based on the improvement in the observed clinical outcomes. Our analysis shows that our framework, which takes into consideration individual patient dose response in its decision-making, can potentially improve clinical RT decision-making by at least about 10% compared to unaided clinical practice. Further validation of our novel quantitative approach in a prospective study will provide a necessary framework for improving the standard of care in personalized RT.
Erythrocyte morphological symmetry analysis to detect sublethal trauma in shear flow
Authors: McNamee Antony P. , Simmonds Michael J. , Inoue Masataka , Horobin Jarod T. , Hakozaki Masaya , Fraser John F. , Watanabe Nobuo
Published: December 2021

The viscoelastic properties of red blood cells (RBC) facilitate flexible shape change in response to extrinsic forces. Their viscoelasticity is intrinsically linked to physical properties of the cytosol, cytoskeleton, and membrane—all of which are highly sensitive to supraphysiological shear exposure. Given the need to minimise blood trauma within artificial organs, we observed RBC in supraphysiological shear through direct visualisation to gain understanding of processes leading to blood damage. Using a custom-built counter-rotating shear generator fit to a microscope, healthy red blood cells (RBC) were directly visualised during exposure to different levels of shear (10–60 Pa). To investigate RBC morphology in shear flow, we developed an image analysis method to quantify (a)symmetry of deforming ellipsoidal cells—following RBC identification and centroid detection, cell radius was determined for each angle around the circumference of the cell, and the resultant bimodal distribution (and thus RBC) was symmetrically compared. While traditional indices of RBC deformability (elongation index) remained unaltered in all shear conditions, following ~100 s of exposure to 60 Pa, the frequency of asymmetrical ellipses and RBC fragments/extracellular vesicles significantly increased. These findings indicate RBC structure is sensitive to shear history, where asymmetrical morphology may indicate sublethal blood damage in real-time shear flow.
A 10-year monitoring of soil properties dynamics and soil fertility evaluation in Chinese hickory plantation regions of southeastern China
Authors: Jin Jin , Wang Luoqi , Müller Karin , Wu Jiasen , Wang Hailong , Zhao Keli , Berninger Frank , Fu Weijun
Published: December 2021

Monitoring the temporal and spatial variation of soil properties is helpful to understand the evolution of soil properties and adjust the management method in time. Soil fertility evaluation is an urgent need to understand soil fertility level and prevent soil degradation. Here, we conducted an intensive field investigation in Chinese hickory (Carya cathayensis Sarg.) plantation to clarify the spatial and temporal variation of soil properties and its influencing factors, and to evaluate the change of soil fertility. The results showed that the soil pH and soil organic carbon (SOC) significantly increased from 2008 to 2018, while available nitrogen (AN) significantly decreased from 2008 to 2018. The semi-variance revealed that except available phosphorus (AP), the spatial dependencies of soil properties increased from 2008 to 2018. An increasing south-north gradient was found for soil AN, AP, available potassium (AK) and SOC and a decreasing south-north gradient was found for soil pH. The average soil fertility in the whole area was increased from 2008 to 2018. Our findings demonstrated that the changes of the management measures were the reason for the change of soil properties from 2008 to 2018. Therefore, rational fertilization strategies and sod cultivation are recommended to maintain the long-term development of the producing forest.
A 52 weeks dupilumab treatment for moderate to severe atopic dermatitis in Korea: long-term efficacy and safety in real world
Authors: Jang Dong Hyek , Heo Seok Jae , Kook Hyung Don , Lee Dong Heon , Jung Hye Jung , Park Mi Yeon , Ahn Jiyoung
Published: December 2021

Previously, we have reported short term effectiveness and safety of dupilumab in Korea. In this study, we are trying to report the long-term effectiveness and safety of dupilumab in Korea. Ninety-nine patients with moderate to severe AD were analyzed. They were evaluated using Eczema Area and Severity Index (EASI), Numerical Rating Scale (NRS), Patient Oriented Eczema Measure (POEM), and Dermatology Quality of Life Index (DLQI) at baseline, week 16, 32 and 52. Efficacy outcomes showed higher improvement at 52 weeks compared with 16 weeks; high percentual reductions in EASI (88.1%), peak pruritus NRS (65.6%), POEM (67.2%), and DLQI (69.0%) compared to baseline. Proportion of patients achieving EASI 75 and 90 were 90.2% and 53.7%. POEM and DLQI had high correlation with clinical measured outcomes. In the analysis for the factors affecting achievement of EASI 90, female gender (OR 2.5), eosinophilia (OR 0.2) and elevated LDH (OR 0.07) were significantly associated. Most frequent adverse events included facial erythema (19.2%) and conjunctivitis (17.2%), which were mild/moderate and resolved during treatment. In conclusion, dupilumab treatment for 52 weeks in Korean patients with moderate-to-severe AD confirmed long term effectiveness and safety.
Factor quinolinone inhibitors alter cell morphology and motility by destabilizing interphase microtubules
Authors: Stoiber Patrick , Scribani Rossi Pietro , Pokharel Niranjana , Germany Jean-Luc , York Emily A. , Schaus Scott E. , Hansen Ulla
Published: December 2021

Factor quinolinone inhibitors are promising anti-cancer compounds, initially characterized as specific inhibitors of the oncogenic transcription factor LSF (TFCP2). These compounds exert anti-proliferative activity at least in part by disrupting mitotic spindles. Herein, we report additional interphase consequences of the initial lead compound, FQI1, in two telomerase immortalized cell lines. Within minutes of FQI1 addition, the microtubule network is disrupted, resulting in a substantial, although not complete, depletion of microtubules as evidenced both by microtubule sedimentation assays and microscopy. Surprisingly, this microtubule breakdown is quickly followed by an increase in tubulin acetylation in the remaining microtubules. The sudden breakdown and partial depolymerization of the microtubule network precedes FQI1-induced morphological changes. These involve rapid reduction of cell spreading of interphase fetal hepatocytes and increase in circularity of retinal pigment epithelial cells. Microtubule depolymerization gives rise to FH-B cell compaction, as pretreatment with taxol prevents this morphological change. Finally, FQI1 decreases the rate and range of locomotion of interphase cells, supporting an impact of FQI1-induced microtubule breakdown on cell motility. Taken together, our results show that FQI1 interferes with microtubule-associated functions in interphase, specifically cell morphology and motility.
Risk of depression in patients with oral cancer: a nationwide cohort study in Taiwan
Authors: Kung Ling-Yu , Li Tsung-I , Chung Chi-Hsiang , Lee Shiao-Pieng , Chen Gunng-Shinng , Chien Wu-Chien , Tzeng Nian-Sheng
Published: December 2021

This study investigates an association between oral cancers and the risk of developing depression. We conducted a total of 3031 patients with newly diagnosed oral cancers and 9093 age-, sex-, and index year-matched controls (1:3) from 2000 to 2013 were selected from the National Health Insurance Research Database (NHIRD) of Taiwan. After adjusting for confounding factors, multivariate Cox proportional hazards analysis was used to compare the risk of depression over a 13-year follow-up. Of the patients with oral cancer, 69 (2.28%, or 288.57 per 105 person-years) developed depression compared to 150 (1.65%, 135.64 per 105 person-years) in the control group. The Cox proportional hazards regression analysis showed that the adjustment hazard ratio (HR) for subsequent depression in patients with oral cancer diagnosed was 2.224 (95% Confidence Interval [CI] 1.641–3.013, p < 0.001). It is noteworthy that in the sensitivity analysis is the adjusted HR in the group with depression diagnosis was 3.392 and in the oral cancer subgroup of “Tongue” was 2.539. This study shows oral cancer was associated with a significantly increased risk for developing subsequent depression and early identification and treatment of depression in oral cancer patients is crucial.
Changes in the gut microbiota after hepatitis C virus eradication
Authors: Honda Takashi , Ishigami Masatoshi , Yamamoto Kenta , Takeyama Tomoaki , Ito Takanori , Ishizu Yoji , Kuzuya Teiji , Nakamura Masanao , Kawashima Hiroki , Miyahara Ryoji , Ishikawa Tetsuya , Hirooka Yoshiki , Fujishiro Mitsuhiro
Published: December 2021

The gut microbiota interacts with infectious diseases and affects host immunity. Liver disease is also reportedly associated with changes in the gut microbiota. To elucidate the changes in the gut microbiota before and after hepatitis C virus (HCV) eradication through direct-acting antiviral (DAA) treatment in patients with chronic hepatitis C (CHC), we investigated 42 samples from 14 patients who received DAA therapy for HCV. Fecal samples were obtained before treatment (Pre), when treatment ended (EOT), and 24 weeks after treatment ended (Post24). The target V3–4 region of the 16S rRNA gene from fecal samples was amplified using the Illumina Miseq sequencing platform. The diversity of the gut microbiota did not significantly differ between Pre, EOT, and Post24. Principal coordinates analysis showed that for each patient, the values at Pre, EOT, and Post24 were concentrated within a small area. The linear discriminant analysis of effect size showed that the relative abundances of Faecalibacterium and Bacillus increased at EOT, further increased at Post24, and were significantly increased at Post24 compared to Pre. These suggest that changes in the gut microbiota should be considered as among the various effects observed on living organisms after HCV eradication.
Artificial intelligence to predict in-hospital mortality using novel anatomical injury score
Authors: Kang Wu Seong , Chung Heewon , Ko Hoon , Kim Nan Yeol , Kim Do Wan , Cho Jayun , Shim Hongjin , Kim Jin Goo , Jang Ji Young , Kim Kyung Won , Lee Jinseok
Published: December 2021

The aim of the study is to develop artificial intelligence (AI) algorithm based on a deep learning model to predict mortality using abbreviate injury score (AIS). The performance of the conventional anatomic injury severity score (ISS) system in predicting in-hospital mortality is still limited. AIS data of 42,933 patients registered in the Korean trauma data bank from four Korean regional trauma centers were enrolled. After excluding patients who were younger than 19 years old and those who died within six hours from arrival, we included 37,762 patients, of which 36,493 (96.6%) survived and 1269 (3.4%) deceased. To enhance the AI model performance, we reduced the AIS codes to 46 input values by organizing them according to the organ location (Region-46). The total AIS and six categories of the anatomic region in the ISS system (Region-6) were used to compare the input features. The AI models were compared with the conventional ISS and new ISS (NISS) systems. We evaluated the performance pertaining to the 12 combinations of the features and models. The highest accuracy (85.05%) corresponded to Region-46 with DNN, followed by that of Region-6 with DNN (83.62%), AIS with DNN (81.27%), ISS-16 (80.50%), NISS-16 (79.18%), NISS-25 (77.09%), and ISS-25 (70.82%). The highest AUROC (0.9084) corresponded to Region-46 with DNN, followed by that of Region-6 with DNN (0.9013), AIS with DNN (0.8819), ISS (0.8709), and NISS (0.8681). The proposed deep learning scheme with feature combination exhibited high accuracy metrics such as the balanced accuracy and AUROC than the conventional ISS and NISS systems. We expect that our trial would be a cornerstone of more complex combination model.
Fruit juice mediated multicomponent reaction for the synthesis of substituted isoxazoles and their in vitro bio-evaluation
Authors: Gulati Susheel , Singh Rajvir , Sangwan Suman
Published: December 2021

A simple, efficient and eco-friendly procedure for the synthesis of isoxazole derivatives (4a–4h) using one-pot three-component reaction between substituted aldehydes (1a), methyl acetoacetate (2a) and hydroxylamine hydrochloride (3a) has been achieved in presence of Cocos nucifera L. juice, Solanum lycopersicum L. juice and Citrus limetta juice respectively. The homogeneity of synthesized compounds was confirmed by melting point and thin layer chromatography. The synthesized compounds were characterized by using 1H NMR, FTIR and CHN analyses and evaluated for in vitro herbicidal activity against Raphanus sativus L. (Radish seeds). The compounds (4a–4h) were also screened for their fungicidal activity against Rhizoctonia solani and Colletotrichum gloeosporioides. Antibacterial activity was also tested against Erwinia carotovora and Xanthomonas citri. From bio-evaluation data, it was found that compound 4b was most active against Raphanus sativus L. (root) and Raphanus sativus L. (shoot) respectively. Compound 4b was also found most active against both the fungus viz. R. solani and C. gloeosporioides showing maximum percentage growth inhibition i.e. 90.00 against R. solani and 82.45 against C. gloeosporioides at 2000 µg/mL concentration. Compound 4 h has shown maximum inhibition zone i.e. 3.00–9.60 mm against Erwinia carotovora at 2000 µg/mL concentration. Maximum Xanthomonas citri growth was also inhibited by compound 4 h showing inhibition zone 1.00–5.00 mm at highest concentration.
Risk factors for thrombotic events in Korean patients with systemic lupus erythematosus
Authors: Park Dong-Jin , Yoon Chang-Seok , Choi Sung-Eun , Xu Haimuzi , Kang Ji-Hyoun , Lee Shin-Seok
Published: December 2021

Thrombotic events (TE), including deep vein thrombosis, stroke, and myocardial infarction, occur in 30–40% of patients with systemic lupus erythematosus (SLE) resulting in substantial morbidity and mortality. We explored the risk factors for TE in SLE patients. We analyzed data obtained during a prospective cohort based on the KORean lupus NETwork (KORNET) registry, and enrolled 259 SLE patients with clinical data available at the onset of SLE. TE was defined as the presence of arterial or venous thrombosis. Multivariate Cox-proportional hazards analysis was performed to investigate risk factors for TE. During a mean follow-up of 103.3 months (SD 53.4), 27 patients (10.4%) had a TE. In multivariate analysis, hypertension (hazard ratio [HR] 7.805, 95% confidence interval [CI]: 1.929–31.581; P = 0.004), anti-phospholipid syndrome (APS) (HR 12.600, 95% CI: 4.305–36.292; P < 0.001), mean daily prednisolone > 5 mg/day (HR 3.666, 95% CI: 1.318–10.197; P = 0.013), and SLICC/ACR Damage Index (SDI) score (HR 1.992, 95% CI: 1.465–2.709; P < 0.001) were significantly associated with the development of TE in SLE patients. Instead, use of an ACEi or ARB (HR 0.159, 95% CI: 0.043–0.594; P = 0.006) was a protective factor against TE development in these patients. In conclusion, hypertension, higher mean daily dose of prednisolone, diagnosis of APS, and higher SDI were risk factors for TE in patients with SLE. On the other hand, the use of an ACEi or ARB was associated with a reduced risk of TE.
Conformational dynamics of free and membrane-bound human Hsp70 in model cytosolic and endo-lysosomal environments
Authors: Calvaresi Valeria , Truelsen Line T. , Larsen Sidsel B. , Petersen Nikolaj H. T. , Kirkegaard Thomas , Rand Kasper D.
Published: December 2021

The binding of the major stress-inducible human 70-kDa heat shock protein (Hsp70) to the anionic phospholipid bis-(monoacylglycero)-phosphate (BMP) in the lysosomal membrane is crucial for its impact on cellular pathology in lysosomal storage disorders. However, the conformational features of this protein-lipid complex remain unclear. Here, we apply hydrogen–deuterium exchange mass spectrometry (HDX-MS) to describe the dynamics of the full-length Hsp70 in the cytosol and its conformational changes upon translocation into lysosomes. Using wild-type and W90F mutant proteins, we also map and discriminate the interaction of Hsp70 with BMP and other lipid components of the lysosomal membrane. We identify the N-terminal of the nucleotide binding domain (residues 87–118) as the primary orchestrator of BMP interaction. We show that the conformation of this domain is significantly reorganized in the W90F mutant, explaining its inability to stabilize lysosomal membranes. Overall, our results reveal important new molecular details of the protective effect of Hsp70 in lysosomal storage diseases, which, in turn, could guide future drug development.
Electrochemical and spectroelectrochemical characterization of bacteria and bacterial systems
Authors: Sundaresan Vignesh , Do Hyein , Shrout Joshua D. , Bohn Paul W.
Published: December 2021

This review focuses on electrochemical and spectroelectrochemical methods that have been developed and used specifically to chemically characterize bacteria and their behavior.
ROS activated prodrug for ALDH overexpressed cancer stem cells
Authors: Won Miae , Kim Ji Hyeon , Ji Myung Sun , Kim Jong Seung
Published: December 2021

We developed a prodrug (DE-CPT) that efficiently decreases the cancer stem cell population and kills the cancer cells by ROS activation.
Formation of lipid tubules induced by a sugar-like molecule myo-inositol
Authors: Ghosh Meghna , Nandi Sourav , Layek Souvik , Nandi Pratyush Kiran , Bera Nanigopal , Sarkar Nilmoni
Published: December 2021

The formation of lipid tubules in the presence of a sugar-like molecule myo-inositol (InOH) has been visualized primarily with the help of fluorescence lifetime imaging microscopy (FLIM) using the dye DCM.
Photodissociation of the trichloromethyl radical: photofragment imaging and femtosecond photoelectron spectroscopy
Authors: Matthaei Christian T. , Mukhopadhyay Deb Pratim , Röder Anja , Poisson Lionel , Fischer Ingo
Published: December 2021

The photodissociation dynamics of CCl3 has been investigated by femtosecond photoelectron and nanosecond photofragment spectroscopy, using velocity map imaging.
First principles calculations on lithium diffusion near the surface and in the bulk of Fe-doped LiCoPO4
Authors: Wu Kuan-Ching , Hsieh Chieh-Ming , Chang Bor Kae
Published: December 2021

The olivine phosphate LiCoPO4 is a prospective cathode material in high-voltage lithium-ion batteries. During lithium diffusion, the ions must overcome the diffusion energy barrier near the surface and in the bulk.
Spin Hall effect of transmitted light through α-Li3N-type topological semimetals
Authors: Jia Guang-Yi , Zhang Rui-Xia , Tang Ting , Li Qian , Ebrahimian Ali , Torbatian Zahra , Asgari Reza
Published: December 2021

Schematic diagram of the spin Hall effect of transmitted light through one α-Li3N-type thin film.
Loading of DOX into a tetrahedral DNA nanostructure: the corner does matter
Authors: Xu Yao , Huang Shu-wei , Ma Yu-qiang , Ding Hong-ming
Published: December 2021

We report a comprehensive study to investigate the loading mechanism of DOX into the tetrahedral DNA nanostructure by using molecular simulations.
Effect of oxygen vacancies on the electronic structure and electrochemical performance of MnMoO4: computational simulation and experimental verification
Authors: Li Xiaoli , Li Pengxi , Wei Fangfang , Wang Xuemin , Han Weiwen , Yue Jiang
Published: December 2021

Porous nanopetals of MnMoO4with oxygen vacancies (MnMoO4–OV) were synthesized and deliver preferable energy storage performance.
Isolation of single crystals of a homoleptic UO22+-diglycolamide complex from a room temperature ionic liquid: X-ray crystallography and complexation studies
Authors: Ansari Seraj A. , Wadawale Amey P. , Verboom Willem , Mohapatra Prasanta K.
Published: December 2021

Complexation and structural investigations of the solid complex of UO22+ ion and TMDGA isolated from an ionic liquid for the first time revealed that the nature and structural features of the complex are identical with those of the complex isolated from the aqueous medium.
Enhanced thermal conductivity of nanofluids by introducing Janus particles
Authors: Cui Xin , Wang Jun , Xia Guodong
Published: December 2021

Janus particles are introduced into a base fluid to enhance the thermal conductivity of a nanofluid, which can be attributed to the enhancement of nanoparticle diffusion coefficient.
Bulk and surface exsolution produces a variety of Fe-rich and Fe-depleted ellipsoidal nanostructures in La0.6Sr0.4FeO3 thin films
Authors: Syed Komal , Wang Jiayue , Yildiz Bilge , Bowman William J.
Published: December 2021

Bulk & surface exsolution of Fe produces various nanostructures in Lanthanum Strontium Ferrite (LSF) thin films.
A dual conducting network corbelled hydrated vanadium pentoxide cathode for high-rate aqueous zinc-ion batteries
Authors: Xu Yu-Ting , Chen Meng-Jie , Wang Hong-Rui , Zhou Chun-Jiao , Ma Qiang , Deng Qi , Wu Xiong-Wei , Zeng Xian-Xiang
Published: December 2021

A vanadium pentoxide with structural water molecules as a pillar to expand layer spacing was grown on a carbon and polymer dual conductive network and realized rapid charge mass transportation for high-rate and energy-dense zinc-ion batteries.
Correction: Rapidly clearable MnCo2O4@PAA as novel nanotheranostic agents for T1/T2 bimodal MRI imaging-guided photothermal therapy
Authors: Zhao Ying , Liu Yang , Wang Yinghui , Xu Bo , Zhang Songtao , Liu Jianhua , Zhang Tianqi , Jin Longhai , Song Shuyan , Zhang Hongjie
Published: December 2021

Correction for ‘Rapidly clearable MnCo2O4@PAA as novel nanotheranostic agents for T1/T2 bimodal MRI imaging-guided photothermal therapy’ by Ying Zhao et al., Nanoscale, 2021, 13, 16251–16257, DOI: 10.1039/D1NR04067G.
One-pot gold(i)-catalyzed synthesis of 2-pyridonyl alcohols
Authors: Karatavuk Ali Osman
Published: December 2021

A new gold(i)-catalyzed method was developed for the preparation of N-alkenyl pyridonyl alcohols. The method provides product conversion with excellent yields.
Facile synthesis of polypeptoids bearing bulky sidechains via urea accelerated ring-opening polymerization of α-amino acid N-substituted N-carboxyanhydrides
Authors: Chen Kang , Wu Yueming , Wu Xue , Zhou Min , Zhou Ruiyi , Wang Jiangzhou , Xiao Ximian , Yuan Yuan , Liu Runhui
Published: December 2021

The organocatalyst 1,3-bis[3,5-bis(trifluoromethyl)phenyl]urea (U–O) accelerates the ring-opening polymerization of α-amino acid N-substituted N-carboxyanhydrides (NNCAs) for the rapid synthesis of polypeptoids bearing bulky sidechains.
Facile synthesis, structure and properties of CO2-sourced poly(thioether-co-carbonate)s containing acetyl pendants via thio-ene click polymerization
Authors: Zhang Yi-Feng , Lai Wei-Ming , Xie Sheng , Zhou Hui , Lu Xiao-Bing
Published: December 2021

Synthetic transformation of CO2 into di- and trivinyl carbonates allows for photo-initiated thio-ene polymerization leading to sequence controlled poly(thioether-carbonate)s.
Iridium(iii)-catalyzed two-fold C–H alkylation of BINOLs with allyl alcohols
Authors: Liu Hao , Chi Wei , Lin Meng-Ling , Dong Lin
Published: December 2021

Ir(iii)-Catalyzed C–H alkylation of BINOL units has been well examined by using allyl alcohols as coupling partners.
Study on the kinetic characteristics of gas hydrate in the dioctyl sodium sulfosuccinate system
Authors: Lv Xiaofang , Jing Shu , Zhao Deyin , Lu Dayong , Liu Yang , Ma Qianli , Song Shangfei , Zhou Shidong
Published: December 2021

Surfactants promote the production of hydrates, which provide a possibility for the industrialization of hydrate technology.
A library of new bifunctional alkenes obtained by a highly regiodivergent silylation of 1,5-hexadiene
Authors: Januszewski Rafał , Orwat Bartosz , Merna Jan , Kownacki Ireneusz
Published: December 2021

An efficient methodology for the synthesis of two groups of silicon-containing alkenes is reported.
Synthesis of physically crosslinked PAM/CNT flakes nanocomposite hydrogel films via a destructive approach
Authors: Yaghoubi Alireza , Ramazani Ali , Ghasemzadeh Hossein
Published: December 2021

Novel PAM/CNT flakes nanocomposite hydrogel films were synthesized by in situ degradation of the oxidized-MWCNTs into flakes using persulfate activation. The flakes crosslinked the PAM chains via hydrogen bonding to form a hydrogel network.
Recent progress in Pickering emulsions stabilised by bioderived particles
Authors: Hossain Kazi M. Zakir , Deeming Laura , Edler Karen J.
Published: December 2021

In a Pickering emulsion, solid particles accumulate at the interface between two immiscible phases to reduce coalescence by forming a physical barrier. Using bioderived particles is becoming popular to generate more sustainable Pickering emulsions.
Hydrogenation of phenol to cyclohexanol using carbon encapsulated Ni–Co alloy nanoparticles
Authors: Wang Shuai , Zhu Tianhan , Jiang Nan , Zhang Chunlei , Wang Huan , Chen Yanguang , Li Feng , Song Hua
Published: December 2021

Highly active NiCo alloy nanoparticles for phenol hydrogenation to cyclohexanol were developed.
Discovery of phosphotyrosine-binding oligopeptides with supramolecular target selectivity
Authors: Pina Ana S. , Morgado Leonor , Duncan Krystyna L. , Carvalho Sara , Carvalho Henrique F. , Barbosa Arménio J. M. , de P. Mariz Beatriz , Moreira Inês P. , Kalafatovic Daniela , Morais Faustino Bruno M. , Narang Vishal , Wang Tong , Pappas Charalampos G. , Ferreira Isabel , Roque A. Cecília A. , Ulijn Rein V.
Published: December 2021

Phage-display screening on self-assembled tyrosine-phosphate ligands enables the identification of oligopeptides selective to dynamic supramolecular targets, with the lead peptide showing a preferred hairpin-like conformation and catalytic activity.
Synthesis of bioactive fluoropyrrolidinesviacopper(i)-catalysed asymmetric 1,3-dipolar cycloaddition of azomethine ylides
Authors: Xu Xiao , Bao Longzhu , Ran Lu , Yang Zhenyan , Yan Dingce , Wang Chun-Jiang , Teng Huailong
Published: December 2021

Chiral fluoropyrrolidines were synthesized by Cu(i)-catalyzed enantioselective 1,3-dipolar cycloaddition of azomethine ylides with less active fluorinated styrenes, with broad substrate scope and high yield, stereoselectivity and biological activity.
A general strategy to the intracellular sensing of glycosidases using AIE-based glycoclusters
Authors: Dong Lei , Zhang Min-Yu , Han Hai-Hao , Zang Yi , Chen Guo-Rong , Li Jia , He Xiao-Peng , Vidal Sébastien
Published: December 2021

We report a general strategy for the fluorogenic sensing of glycosidases in cells based on aggregation-induced emission of glycoclusters.
De novogeneration of a bright blue fluorophore from 2-oxoglutarate in biological samples
Authors: Kim Yumin , Kang Sangyoon , Lee Byung Hun , Song Youngjun , Kang Sunah , Park Hye Yoon , Lee Yan
Published: December 2021

DTPP, a bright fluorophore with 2-pyridone and γ-lactam, is generated in ade novomanner from non-fluorogenic 2-oxoglutarate and specific amines. The DTPP-based fluorometry is applied to the analysis of 2-oxoglutarate in a biological sample.
A free boratriptycene-type Lewis superacid
Authors: Henkelmann Marcel , Omlor Andreas , Bolte Michael , Schünemann Volker , Lerner Hans-Wolfram , Noga Jozef , Hrobárik Peter , Wagner Matthias
Published: December 2021

An exceptionally strong ferrocene-containing, cationic boratriptycene-type Lewis acid is stabilized by a weak Fe⋯B through-space interaction.
Facile and rapid fabrication of porous CuBr films by solution oxidation and their application for the exclusive detection of NH3 at room temperature
Authors: Kim Sang-Kwon , Yu Byeong-Hun , Na Chan Woong , Lee Jong-Heun , Yoon Ji-Wook
Published: December 2021

A porous CuBr film with exclusive NH3 sensing properties is prepared via a simple solution process, which offers the best opportunity for realizing low-cost, wearable devices for indoor air quality monitoring.
Anti-gas hydrate surfaces: perspectives, progress and prospects
Authors: Wang Feng , Ma Rui , Xiao Senbo , English Niall J. , He Jianying , Zhang Zhiliang
Published: December 2021

With a thorough review on the fundamental relationships between surfaces and hydrates, guiding principles for anti-hydrate surfaces, either targeting anti-hydrate nucleation, anti-hydrate deposition or low hydrate adhesion are deeply discussed.
Self-templated construction of peanut-like P3-type K0.45Mn0.5Co0.5O2 for highly reversible potassium storage
Authors: Zhang Zhuangzhuang , Sun Jianlu , Duan Liping , Du Yichen , Li Jianbo , Shen Jian , Zhou Xiaosi
Published: December 2021

Uniform peanut-like P3-type K0.45Mn0.5Co0.5O2 hierarchical microparticles are fabricated through an elegant self-templating method, demonstrating enhanced potassium storage performance.
Living cell-based ultrahigh-supercapacitive behaviours
Authors: Wu Xiaoshuai , Liu Jing , Guo Chunxian , Shi Zhuan Zhuan , Zou Zhuo , Sun Wei , Li Chang Ming
Published: December 2021

A new conceptual living-cell-formed ultrahigh performance supercapacitor made from bacteria is proposed, which contains millions of micro-supercapacitors connected in parallel for superior supercapacitive performance.
Carboxy-terminal dendrimers with phenylalanine for a pH-sensitive delivery system into immune cells including T cells
Authors: Shiba Hiroya , Nishio Misaki , Sawada Mei , Tamaki Mamiko , Michigami Masataka , Nakai Shinya , Nakase Ikuhiko , Fujii Ikuo , Matsumoto Akikazu , Kojima Chie
Published: December 2021

Dendrimers with phenylalanine (Phe) and cyclohexanedicarboxylic acid (CHex) showed higher uptake into various cells including T cells via endocytosis. The cell association was enhanced under weak acidic conditions observed in tumor microenvironment.
An injectable gellan gum-based hydrogel that inhibits Staphylococcus aureus for infected bone defect repair
Authors: Xu Laijun , Ye Qing , Xie Jing , Yang Jiaojiao , Jiang Wentao , Yuan He , Li Jiyao
Published: December 2021

The treatment of infected bone defects in complex oral and maxillofacial structures remains a challenge. An injectable gellan gum (GG)-based hydrogel loaded with nanohydroxyapatite particles and chlorhexidine (nHA/CHX) can accelerate the repair of infected bone defects.
Ferro-electric and magnetic properties in Bi5Ti3FeO15 films by Mn doping
Authors: Zhang Xue , Qi Ruijuan , Dong Shangwei , Yang Shuai , Hong Xuekun , Peng Hui , Sun Lin , Xiang Pinghua , Yang Pingxiong , Yue Fangyu , Duan Chungang , Chu Junhao
Published: December 2021

Multiferroic Bi5Ti3Fe1−xMnxO15 films were synthesized using the sol–gel method. Mn-doping significantly reduces the optical bandgap and improves the ferroelectric and ferromagnetic properties, but excessive doping largely increases the leakage due to the increase of oxygen vacancies.
Highly efficient hybrid light-emitting transistors incorporating MoOx/Ag/MoOx semi-transparent electrodes
Authors: Park Yu Jung , Song Ae Ran , Chung Kwun-Bum , Kim Tae-Youb , Walker Bright , Seo Jung Hwa
Published: December 2021

Light-emitting transistors (LETs) couple the switching function of a transistor with the light-emitting function of LEDs. We demonstrate improved light out-coupling efficiency in LETs using oxide – metal – oxide type semitransparent electrodes.
Sustainable ITO films with reduced indium content deposited by AACVD
Authors: Ma Tianlei , Missous Mohamed , Pinter Gergo , Zhong Xiangli , Spencer Ben , Thomas Andrew. G. , Lewis David. J.
Published: December 2021

In–Sn–O thin films with reduced indium content were synthesised by aerosol-assisted chemical vapor deposition as transparent conductors.
Inspired from Spiro-OMeTAD: developing ambipolar spirobifluorene derivatives as effective passivation molecules for perovskite solar cells
Authors: Zhang Teng , Zhao Baohua , Li Zhi , Liu Shanshan , Liu Chengben , Li Xinmei , Liu Heyuan , Chen Yanli , Liu Zhaobin , Li Xiyou
Published: December 2021

Accelerated hole extraction efficiency through effective BSBF–NH2 molecule surface passivation.
Radiomics, deep learning and early diagnosis in oncology
Authors: Wei Peng
Published: December 2021

Medical imaging, including X-ray, computed tomography (CT), and magnetic resonance imaging (MRI), plays a critical role in early detection, diagnosis, and treatment response prediction of cancer. To ease radiologists’ task and help with challenging cases, computer-aided diagnosis has been developing rapidly in the past decade, pioneered by radiomics early on, and more recently, driven by deep learning. In this mini-review, I use breast cancer as an example and review how medical imaging and its quantitative modeling, including radiomics and deep learning, have improved the early detection and treatment response prediction of breast cancer. I also outline what radiomics and deep learning share in common and how they differ in terms of modeling procedure, sample size requirement, and computational implementation. Finally, I discuss the challenges and efforts entailed to integrate deep learning models and software in clinical practice.
The Diagnostic Value of Language Screening in Primary Progressive Aphasia: Validation and Application of the Sydney Language Battery
Authors: Janssen Nikki , Roelofs Ardi , van den Berg Esther , Eikelboom Willem S. , Holleman Meike A. , in de Braek Dymphie M. J. M. , Piguet Olivier , Piai Vitória , Kessels Roy P. C.
Published: December 2021

Purpose:

The three variants of primary progressive aphasia (PPA) differ in clinical presentation, underlying brain pathology, and clinical course, which stresses the need for early differentiation. However, brief cognitive tests that validly distinguish between all PPA variants are lacking. The Sydney Language Battery (SYDBAT) is a promising screening instrument that can be used as a first step in a comprehensive neuropsychological assessment to distinguish PPA subtypes, but evidence on its validity and reliability is to date limited. In the current study, the validation and diagnostic value of the SYDBAT are described for discriminating PPA subtypes as well as distinguishing PPA from mild cognitive impairment (MCI) or Alzheimer's dementia (AD).

Method:

Forty-five patients with PPA (13 with semantic PPA, 20 with logopenic PPA, and 12 with nonfluent/agrammatic PPA), 25 MCI patients, 13 AD patients, and 50 cognitively unimpaired controls were included in this study. Both patients and controls completed the SYDBAT-NL (Dutch version). Performance on and predictive ability of the four subtests (i.e., Naming, Word Comprehension, Repetition, and Semantic Association) were assessed. In addition, construct validity and internal consistency were examined.

Results:

Different SYDBAT performance patterns were found across PPA and non-PPA patient groups. While a discriminant function analysis based on SYDBAT subtest scores could predict PPA subtype with 78% accuracy, it was more difficult to disentangle PPA from non-PPA patients based on SYDBAT scores alone. For assisting in clinical interpretation, simple rules were set up and translated into a diagnostic decision tree for subtyping PPA, which was capable of diagnosing a large proportion of the cases. Satisfying validity and reliability measures were found.

Conclusions:

The SYDBAT is an easy-to-use and promising screen for assessing single-word language processes, which may contribute to the differential diagnostic process of PPA and the assessment of language impairment in MCI and AD. It can be easily implemented for initial screening of patients in a memory clinic.
Building the UK's industrial base in engineering biology
Authors: Kitney Richard I.
Published: December 2021

The paper describes the strategy and components that have been put in place to build the UK's research and industrial base in Engineering Biology. The initial section of the paper provides a brief historical overview of the development of the field in the United Kingdom. This comprised, principally, a major report by the Royal Academy of Engineering and a strategic roadmap for synthetic biology, together with the establishment of six new synthetic biology research centres, a national centre for the industrial translation of synthetic biology and five biofoundries. The next section of the paper describes the UK government’s policy for the field. Important elements of the implementation of the policy comprises people, Infrastructure, Business Environment and place. In this context, a number of important areas are addressed—including industrial translation; building an expert workforce and nucleating, incubating and accelerating a new engineering biology industry in the United Kingdom. The final portion of the paper addresses the author's view of the way forward. This comprises placing the development of the field, both nationally and internationally, in the context of the development of the Bioeconomy and Climate Change. The final section of the text addresses a specific strategic approach and the implications for the United Kingdom in relation to the development of its industrial base in Engineering Biology.