bluuebunny/crossref_metadata_2025 huggingface dataset:
Association of visceral and subcutaneous adiposity with tumor stage and Fuhrman grade in renal cell carcinoma
Authors: Maurits J. S. F. , Sedelaar J. P. M. , Aben K. K. H. , Kiemeney L. A. L. M. , Vrieling A.
Published: October 2022

Higher BMI has been associated with lower tumor stage and grade and improved survival in renal cell cancer (RCC). BMI cannot distinguish between visceral adipose tissue (VAT) and subcutaneous adipose tissue (SAT). We examined associations of BMI, VAT, SAT, total adipose tissue (TAT) and relative VAT (rVAT) with tumor stage and grade in RCC patients. In a Dutch multicenter population-based historical cohort study 1039 RCC patients diagnosed between 2008 and 2012 were assessed for VAT and SAT using Computed Tomography images at L3. Sex-stratified multinomial logistic regression analyses were performed (linearly per 10-unit increase) between BMI, VAT, SAT, TAT and relative VAT (rVAT) with tumor stage and Fuhrman grade. Higher VAT, TAT and rVAT were associated with a lower risk of stage IV versus stage I in males (OR 0.93; 95%CI 0.91–0.96, OR 0.95; 95%CI 0.93–0.98, OR 0.97; 95%CI 0.96–0.99, respectively). Females showed similar associations, but only higher VAT was statistically significantly associated with reduced risk of stage IV (OR 0.95 95%CI 0.89–1.00). No associations with grade, SAT or BMI were found. In conclusion, higher VAT and TAT was associated with lower risk of stage IV RCC. This might be due to weight loss or cancer cachexia in stage IV patients.
Designing and validating a comparison card method for quantification of glenoid bone defect
Authors: Chen Liang , Zhang Yichong , Wu Yufeng , Chen Jingyang , Hong Zexin , Ju Jiabao , Chen Jianhai , Gao Dawei
Published: October 2022

To design and investigate a comparison card to evaluate the glenoid bone defect compared with Sugaya method. 33 patients with bony Bankart lesions were included. The comparison card and Sugaya method were performed on two occasions by three participants. The intra-group correlation coefficient (ICC) analysis and the inter-group correlation coefficient analysis of two measurements was performed. The concordance of the two methods was assessed using Bland–Altman analysis. Firstly, the percentage of defect measured by Sugaya method was 10.32 ± 8.38, and the comparison card method was 10.26 ± 8.41, 10.15 ± 8.23, and 10.62 ± 8.48, separately. There was no statistically significant difference (P > 0.05). The second measurement showed it was 10.37 ± 8.39 for Sugaya method, and 10.23 ± 8.37, 10.15 ± 8.35, 10.54 ± 8.49 for the comparison card, without a statistically significant difference (P > 0.05). For the comparison card, the intra- and inter-observer ICC values were all > 0.75. In the first measurement, Bland–Altman analysis demonstrated agreement between the two methods (bias, −0.03; SD, 0.48; − 0.97– 0.91; 95% CI, − 0.1999– 0.1413). Agreement was also found between them (bias, 0.07; SD, 0.61; − 1.13– 1.26; 95% CI, − 0.1509– 0.2812) in the second measurement. The comparison card method has similar accuracy with Sugaya method, which is of great reliability and convenience.
The Catalan Surveillance Network of SARS-CoV-2 in Sewage: design, implementation, and performance
Authors: Guerrero-Latorre Laura , Collado Neus , Abasolo Nerea , Anzaldi Gabriel , Bofill-Mas Sílvia , Bosch Albert , Bosch Lluís , Busquets Sílvia , Caimari Antoni , Canela Núria , Carcereny Albert , Chacón Carme , Ciruela Pilar , Corbella Irene , Domingo Xavier , Escoté Xavier , Espiñeira Yaimara , Forés Eva , Gandullo-Sarró Isabel , Garcia-Pedemonte David , Girones Rosina , Guix Susana , Hundesa Ayalkibet , Itarte Marta , Mariné-Casadó Roger , Martínez Anna , Martínez-Puchol Sandra , Mas-Capdevila Anna , Mejías-Molina Cristina , Rafa Marc Moliner i , Munné Antoni , Pintó Rosa Maria , Pueyo-Ros Josep , Robusté-Cartró Jordi , Rusiñol Marta , Sanfeliu Robert , Teichenné Joan , Torrell Helena , Corominas Lluís , Borrego Carles M.
Published: October 2022

Wastewater-based epidemiology has shown to be an efficient tool to track the circulation of SARS-CoV-2 in communities assisted by wastewater treatment plants (WWTPs). The challenge comes when this approach is employed to help Health authorities in their decision-making. Here, we describe the roadmap for the design and deployment of SARSAIGUA, the Catalan Surveillance Network of SARS-CoV-2 in Sewage. The network monitors, weekly or biweekly, 56 WWTPs evenly distributed across the territory and serving 6 M inhabitants (80% of the Catalan population). Each week, samples from 45 WWTPs are collected, analyzed, results reported to Health authorities, and finally published within less than 72 h in an online dashboard (https://sarsaigua.icra.cat). After 20 months of monitoring (July 20–March 22), the standardized viral load (gene copies/day) in all the WWTPs monitored fairly matched the cumulative number of COVID-19 cases along the successive pandemic waves, showing a good fit with the diagnosed cases in the served municipalities (Spearman Rho = 0.69). Here we describe the roadmap of the design and deployment of SARSAIGUA while providing several open-access tools for the management and visualization of the surveillance data.
Effect of a single vectored thermal pulsation treatment of Meibomian gland dysfunction patients under controlled environmental conditions
Authors: Novo-Diez Andrea , López-Miguel Alberto , Fernández Itziar , Blanco-Vázquez Marta , Valencia-Sandonís Cristina , Enríquez-de-Salamanca Amalia , González-García María J. , Calonge Margarita
Published: October 2022

To assess the prophylactic effect of LipiFlow treatment in Meibomian gland dysfunction (MGD) patients exposed to an adverse environmental humidity. MGD patients were exposed to normal (23 °C; 50% relative humidity; 30 min) and adverse (23 °C; 10% relative humidity; 2 h) controlled environments consecutively during baseline and follow-up visits (3, 6, and 12 months) after a single LipiFlow treatment. Ocular Surface Disease Index (OSDI), lipid layer thickness (LLT), fluorescein tear break-up time (TBUT), corneal and conjunctival staining, change in dry eye symptoms questionnaire (CDES-Q), and Meibomian gland yielding liquid secretion (MGYLS), were assessed. Linear mixed-effects and cumulative logit mixed models were fitted to assess the effect of the LipiFlow treatment over time and within the controlled environments. Seventeen females and 4 males (59.6 ± 9.4 years) completed the study. LLT and TBUT did not vary significantly (p > 0.05) after LipiFlow treatment. OSDI, corneal and conjunctival staining, and MGYLS scores were improved (p ≤ 0.01) 12 months after treatment. After the adverse exposure, corneal staining increased at all visits (p = 0.01), and there was no significant improvement in CDES-Q scores after LipiFlow treatment (p ≥ 0.07). One LipiFlow treatment improved objective and subjective outcomes in MGD disease for at least one year. Further studies are needed to support that LipiFlow might also help as an adjuvant to avoid acute flares against an adverse environmental humidity.
A forced convection of water aluminum oxide nanofluid flow and heat transfer study for a three dimensional annular with inner rotated cylinder
Authors: Usman  , Memon Abid Ali , Alghamdi Metib , Muhammad Taseer
Published: October 2022

The article examines a water alumina nanofluid and heat transfer through the three-dimensional annular. The annular is constructed by the two concentric cylinders in which the inner cylinder can rotate along the tangential direction at a constant speed. A slip boundary condition will be imposed to vanish the viscous effect in the vicinity of the outer cylinder wall. Moreover, the rotating cylinder is kept at a hot temperature, and the outer one is at a cold temperature. A three-dimensional incompressible Navier Stokes and energy equations were carried in cylindrical coordinates. The simulation was observed using the emerging computational tool of COMSOL Multiphysics 5.6, which implements Least Square Galerkin's scheme of finite element method. The parametric study will be done by altering the speed of rotation of the inner cylinder from 1 to 4, volume fraction from 0.001 to 0.9, and the aspect ratio from 0.4 to 0.6 for a fixed Reynolds number of 35,000. The results will be displayed with graphs and tables for average values of the Nusselt number, the percentage change in the temperature, and the skin friction at the middle plan. It was found that the average Nusselt number at the middle of the annular increases before the volume fraction of 0.2 and then decreases for all values of the volume fraction for a fixed rotation of the inner cylinder. The average percentage change relative to the inner cylinder's hot temperature decreases with the volume fraction increase for the fixed rotation. Also, it was found that the quantity of nanoparticles in the domain is improving the average skin friction in the middle of the channel, and it can be reduced by improving the rotation of the inner cylinder by about 10–23% strictly depending upon the aspect ratio for a particular case.
Synthesis and anticancer activity of new benzensulfonamides incorporating s-triazines as cyclic linkers for inhibition of carbonic anhydrase IX
Authors: Zain-Alabdeen Abdelrahman I. , El-Moselhy Tarek F. , Sharafeldin Nabaweya , Angeli Andrea , Supuran Claudiu T. , El-Hamamsy Mervat H.
Published: October 2022

Limited presence of hCA IX in normal physiological tissues and their overexpression only in solid hypoxic tumors made this isoform excellent possible target for developing new anticancer agents. We reported designing and synthesis of two novel series of benzenesulfonamides derivatives as hCA IX inhibitors bearing rigid cyclic linkers (1,3,5-dihydrotriazine in series A and 1,3,5-triazine in series B) in replace of traditional linear linkers. Also, novel cyanoethenyl spacer was assembled next to the 1,3,5-triazine linker in series B. Target compounds of series (A) and (B) were screened against four hCA isoforms. Human CA IX efficiently inhibited in series (A) by compound 5a (KI = 134.8 nM). Meanwhile, in series (B) the most active inhibitor was 12i (KI = 38.8 nM). US-NCI protocol was followed to evaluate the anticancer activity of target compounds against panel of sixty cancer cell lines. Compound 12d, exposed the best activity towards breast cancer (MDA-MB-468) with GI% = 62%. The most active analogues, 12d and 12i were further screened for in vitro cytotoxic activity under hypoxic condition against breast cancer (MDA-MB-468) (IC50 = 3.99 ± 0.21 and 1.48 ± 0.08 µM, respectively) and leukemia (CCRF-CM) cell line (IC50 = 4.51 ± 0.24 and 9.83 ± 0.52 µM, respectively). In addition, 12d arrested breast cancer MDA-MB-468 cell cycle in G0-G1 and S phases and induced its apoptosis which indicated by increasing the level of cleaved caspases 3 and 9. Molecular docking was performed for selected analogues to understand their biological alterations. This study revealed that insertion of 1,3,5-triazines as cyclic linkers enhanced the significant anticancer and hCA IX inhibition activity of benzenesulfonamides.
Cognitive benefits of using non-invasive compared to implantable neural feedback
Authors: Chee Lauren , Valle Giacomo , Preatoni Greta , Basla Chiara , Marazzi Michele , Raspopovic Stanisa
Published: October 2022

A non-optimal prosthesis integration into an amputee’s body schema suggests some important functional and health consequences after lower limb amputation. These include low perception of a prosthesis as a part of the body, experiencing it as heavier than the natural limb, and cognitively exhausting use for users. Invasive approaches, exploiting the surgical implantation of electrodes in residual nerves, improved prosthesis integration by restoring natural and somatotopic sensory feedback in transfemoral amputees. A non-invasive alternative that avoids surgery would reduce costs and shorten certification time, significantly increasing the adoption of such systems. To explore this possibility, we compared results from a non-invasive, electro-cutaneous stimulation system to outcomes observed with the use of implants in above the knee amputees. This non-invasive solution was tested in transfemoral amputees through evaluation of their ability to perceive and recognize touch intensity and locations, or movements of a prosthesis, and its cognitive integration (through dual task performance and perceived prosthesis weight). While this managed to evoke the perception of different locations on the artificial foot, and closures of the leg, it was less performant than invasive solutions. Non-invasive stimulation induced similar improvements in dual motor and cognitive tasks compared to neural feedback. On the other hand, results demonstrate that remapped, evoked sensations are less informative and intuitive than the neural evoked somatotopic sensations. The device therefore fails to improve prosthesis embodiment together with its associated weight perception. This preliminary evaluation meaningfully highlights the drawbacks of non-invasive systems, but also demonstrates benefits when performing multiple tasks at once. Importantly, the improved dual task performance is consistent with invasive devices, taking steps towards the expedited development of a certified device for widespread use.
High risk of developing dementia in Parkinson’s disease: a Swedish registry-based study
Authors: Åström Daniel Oudin , Simonsen Jacob , Raket Lars Lau , Sgarbi Simona , Hellsten Johan , Hagell Peter , Norlin Jenny M. , Kellerborg Klas , Martinez-Martin Pablo , Odin Per
Published: October 2022

Dementia have substantial negative impact on the affected individual, their care partners and society. Persons living with Parkinson’s disease (PwP) are also to a large extent living with dementia. The aim of this study is to estimate time to dementia in PD using data from a large quality register with access to baseline clinical and patient reported data merged with Swedish national health registries. Persons with Parkinson’s disease in the Swedish Neuro Registries/Parkinson’s Disease Swedish PD Registry (PARKreg) in Sweden were included and linked to national health registries and matched by sex and age to controls without PD. Time to dementia was analysed with Cox regression models assuming proportional hazards, with time since diagnosis as the underlying time variable. In this large prospective cohort study, PwP had approximately four times higher risk of developing dementia as compared to age and sex-matched controls, a finding which remained after adjusting for potential confounders. The present results underline the high risk of dementia in PD and further emphasize the importance of developing symptomatic and ultimately disease modifying strategies to counteract this part of the non-motor symptomatology in PD.
Estimation of the mutation rate of Mycobacterium tuberculosis in cases with recurrent tuberculosis using whole genome sequencing
Authors: Comín Jessica , Cebollada Alberto ,   Aragonese Working Group on Molecular Epidemiology of Tuberculosis (EPIMOLA), Iglesias María José , Ibarz Daniel , Viñuelas Jesús , Torres Luis , Sahagún Juan , Lafoz María Carmen , Esteban de Juanas Felipe , Malo María Carmen , Samper Sofía
Published: October 2022

The study of tuberculosis latency is problematic due to the difficulty of isolating the bacteria in the dormancy state. Despite this, several in vivo approaches have been taken to mimic the latency process. Our group has studied the evolution of the bacteria in 18 cases of recurrent tuberculosis. We found that HIV positive patients develop recurrent tuberculosis earlier, generally in the first two years (p value = 0.041). The genome of the 36 Mycobacterium tuberculosis paired isolates (first and relapsed isolates) showed that none of the SNPs found within each pair was observed more than once, indicating that they were not directly related to the recurrence process. Moreover, some IS6110 movements were found in the paired isolates, indicating the presence of different clones within the patient. Finally, our results suggest that the mutation rate remains constant during all the period as no correlation was found between the number of SNPs and the time to relapse.
Magnetic nanowires substrate increases adipose-derived mesenchymal cells osteogenesis
Authors: Labusca Luminita , Danceanu Camelia , Minuti Anca Emanuela , Herea Dumitru-Daniel , Ghemes Adrian , Rotarescu Cristian , Dragos-Pinzaru Oana , Tibu Mihai , Marian Grigoras , Chiriac Horia , Lupu Nicoleta
Published: October 2022

Magnetic nanomaterials are increasingly impacting the field of biology and medicine. Their versatility in terms of shape, structure, composition, coating, and magnetic responsivity make them attractive for drug delivery, cell targeting and imaging. Adipose derived-mesenchymal cells (ASCs) are intensely scrutinized for tissue engineering and regenerative medicine. However, differentiation into musculoskeletal lineages can be challenging. In this paper, we show that uncoated nickel nanowires (Ni NW) partially released from their alumina membrane offer a mechanically-responsive substrate with regular topography that can be used for the delivery of magneto-mechanical stimulation. We have used a tailored protocol for improving ASCs adherence to the substrate, and showed that cells retain their characteristic fibroblastic appearance, cytoskeletal fiber distribution and good viability. We report here for the first time significant increase in osteogenic but not adipogenic differentiation of ASCs on Ni NW exposed to 4 mT magnetic field compared to non-exposed. Moreover, magnetic actuation is shown to induce ASCs osteogenesis but not adipogenesis in the absence of external biochemical cues. While these findings need to be verified in vivo, the use of Ni NW substrate for inducing osteogenesis in the absence of specific differentiation factors is attractive for bone engineering. Implant coating with similar surfaces for orthopedic and dentistry could be as well envisaged as a modality to improve osteointegration.
Prediction of chemical warfare agents based on cholinergic array type meta-predictors
Authors: Kumar Surendra , Kumari Chandni , Ahn Sangjin , Kim Hyoungrae , Kim Mi-hyun
Published: October 2022

Molecular insights into chemical safety are very important for sustainable development as well as risk assessment. This study considers how to manage future upcoming harmful agents, especially potentially cholinergic chemical warfare agents (CWAs). For this purpose, the structures of known cholinergic agents were encoded by molecular descriptors. And then each drug target interaction (DTI) was learned from the encoded structures and their cholinergic activities to build DTI classification models for five cholinergic targets with reliable statistical validation (ensemble-AUC: up to 0.790, MCC: up to 0.991, accuracy: up to 0.995). The collected classifiers were transformed into 2D or 3D array type meta-predictors for multi-task: (1) cholinergic prediction and (2) CWA detection. The detection ability of the array classifiers was verified under the imbalanced dataset between CWAs and none CWAs (area under the precision-recall curve: up to 0.997, MCC: up to 0.638, F1-score of none CWAs: up to 0.991, F1-score of CWAs: up to 0.585).
Feasibility study of a self-guided internet-based intervention for family caregivers of patients with cancer (OAse)
Authors: Grapp Miriam , Ell Johanna , Kiermeier Senta , Haun Markus W. , Kübler Andrea , Friederich Hans-Christoph , Maatouk Imad
Published: October 2022

Despite high levels of distress, family caregivers of patients with cancer rarely seek psychosocial support and Internet-based interventions (IBIs) are a promising approach to reduce some access barriers. Therefore, we developed a self-guided IBI for family caregivers of patients with cancer (OAse), which, in addition to patients' spouses, also addresses other family members (e.g., adult children, parents). This study aimed to determine the feasibility of OAse (recruitment, dropout, adherence, participant satisfaction). Secondary outcomes were caregivers’ self-efficacy, emotional state, and supportive care needs. N = 41 family caregivers participated in the study (female: 65%), mostly spouses (71%), followed by children (20%), parents (7%), and friends (2%). Recruitment (47%), retention (68%), and adherence rates (76% completed at least 4 of 6 lessons) support the feasibility of OAse. Overall, the results showed a high degree of overall participant satisfaction (96%). There were no significant pre-post differences in secondary outcome criteria, but a trend toward improvement in managing difficult interactions/emotions (p = .06) and depression/anxiety (p = .06). Although the efficacy of the intervention remains to be investigated, our results suggest that OAse can be well implemented in caregivers’ daily lives and has the potential to improve family caregivers’ coping strategies.
Clinicopathological and prognostic value of lysyl oxidase expression in gastric cancer: a systematic review, meta-analysis and bioinformatic analysis
Authors: Jia Zirui , Gao Jiacheng , Wang Yuhang , Zhou Tingting , Zhang Xiangwen , Zu Guo
Published: October 2022

The association between the expression of Lysyl oxidase (LOX) and its clinicopathological parameters and prognosis in patients with gastric cancer (GC) is still disputed. We performed this meta-analysis and bioinformatics analysis to clarify the relationship between the expression and methylation level of LOX with its clinicopathological parameters and prognostic value. We applied odds ratios with a 95% confidence interval to study the associations between LOX expression and clinicopathological parameters and overall survival (OS) in GC patients. In addition, association analysis of promoter methylation levels and expression of LOX with its prognostic value was performed using the Cancer Genome Atlas (TCGA) and four Gene Expression Omnibus (GEO) datasets. The PRISMA 2020 checklist was used to guide the data extraction and analysis. This meta-analysis includes seven clinical studies with a total of 1435 GC patients. LOX expression was related to lymph node metastasis and tumor distant metastasis in GC patients, but not to gender, tumor differentiation, Lauren classification, or tumor depth of invasion. Patients with GC grouped in high-expression of LOX had a much worse OS than those in low-expression. In addition, TCGA and four GEO datasets with 1279 samples were included in the bioinformatics analysis. The bioinformatics analysis showed that patients with high LOX levels had poor OS; low levels of methylation at some cg sites in the LOX gene were strongly related to poor OS and PFS; and methylation levels of LOX are negatively correlated with advanced tumor stage. The conclusion from comprehensive DNA methylation and gene expression analysis supports LOX as a specific diagnostic and prognosis biomarker in GC. LOX expression was related to lymph node metastasis, tumor distant metastasis and poor prognosis in GC. Low methylation levels were related to advanced tumor stage and poor prognosis in GC. Integrative analysis supports LOX as a specific diagnostic and prognosis biomarker in GC.
SoloTE for improved analysis of transposable elements in single-cell RNA-Seq data using locus-specific expression
Authors: Rodríguez-Quiroz Rocío , Valdebenito-Maturana Braulio
Published: October 2022

Transposable Elements (TEs) contribute to the repetitive fraction in almost every eukaryotic genome known to date, and their transcriptional activation can influence the expression of neighboring genes in healthy and disease states. Single cell RNA-Seq (scRNA-Seq) is a technical advance that allows the study of gene expression on a cell-by-cell basis. Although a current computational approach is available for the single cell analysis of TE expression, it omits their genomic location. Here we show SoloTE, a pipeline that outperforms the previous approach in terms of computational resources and by allowing the inclusion of locus-specific TE activity in scRNA-Seq expression matrixes. We then apply SoloTE to several datasets to reveal the repertoire of TEs that become transcriptionally active in different cell groups, and based on their genomic location, we predict their potential impact on gene expression. As our tool takes as input the resulting files from standard scRNA-Seq processing pipelines, we expect it to be widely adopted in single cell studies to help researchers discover patterns of cellular diversity associated with TE expression.
A framework for dissecting affinities of multidrug efflux transporter AcrB to fluoroquinolones
Authors: Vergalli Julia , Chauvet Hugo , Oliva Francesco , Pajović Jelena , Malloci Giuliano , Vargiu Attilio Vittorio , Réfrégiers Matthieu , Ruggerone Paolo , Pagès Jean-Marie
Published: October 2022

Sufficient concentration of antibiotics close to their target is key for antimicrobial action. Among the tools exploited by bacteria to reduce the internal concentration of antibiotics, multidrug efflux pumps stand out for their ability to capture and expel many unrelated compounds out of the cell. Determining the specificities and efflux efficiency of these pumps towards their substrates would provide quantitative insights into the development of antibacterial strategies. In this light, we developed a competition efflux assay on whole cells, that allows measuring the efficacy of extrusion of clinically used quinolones in populations and individual bacteria. Experiments reveal the efficient competitive action of some quinolones that restore an active concentration of other fluoroquinolones. Computational methods show how quinolones interact with the multidrug efflux transporter AcrB. Combining experiments and computations unveils a key molecular mechanism acting in vivo to detoxify bacterial cells. The developed assay can be generalized to the study of other efflux pumps.
High cooperativity coupling to nuclear spins on a circuit quantum electrodynamics architecture
Authors: Rollano Victor , de Ory Marina C. , Buch Christian D. , Rubín-Osanz Marcos , Zueco David , Sánchez-Azqueta Carlos , Chiesa Alessandro , Granados Daniel , Carretta Stefano , Gomez Alicia , Piligkos Stergios , Luis Fernando
Published: October 2022

Nuclear spins are candidates to encode qubits or qudits due to their isolation from magnetic noise and potentially long coherence times. However, their weak coupling to external stimuli makes them hard to integrate into circuit quantum electrodynamics architectures, the leading technology for solid-state quantum processors. Here, we study the coupling of 173Yb(III) nuclear spin states in an [Yb(trensal)] molecule to superconducting cavities. Experiments have been performed on magnetically dilute single crystals placed on the inductors of lumped-element LC superconducting resonators with characteristic frequencies spanning the range of nuclear and electronic spin transitions. We achieve a high cooperative coupling to all electronic and most nuclear [173Yb(trensal)] spin transitions, a necessary ingredient for the implementation of qudit protocols with molecular spins using a hybrid architecture.
Current wastewater treatment targets are insufficient to protect surface water quality
Authors: Jones Edward R. , Bierkens Marc F. P. , Wanders Niko , Sutanudjaja Edwin H. , van Beek Ludovicus P. H. , van Vliet Michelle T. H.
Published: October 2022

The quality of global water resources is increasingly strained by socio-economic developments and climate change, threatening both human livelihoods and ecosystem health. With inadequately managed wastewater being a key driver of deterioration, Sustainable Development Goal (SDG) 6.3 was established to halve the proportion of untreated wastewater discharged to the environment by 2030. Yet, the impact of achieving SDG6.3 on global ambient water quality is unknown. Addressing this knowledge gap, we develop a high-resolution surface water quality model for salinity as indicated by total dissolved solids, organic pollution as indicated by biological oxygen demand and pathogen pollution as indicated by fecal coliform. Our model includes a novel spatially-explicit approach to incorporate wastewater treatment practices, a key determinant of in-stream pollution. We show that achieving SDG6.3 reduces water pollution, but is still insufficient to improve ambient water quality to below key concentration thresholds in several world regions. Particularly in the developing world, reductions in pollutant loadings are locally effective but transmission of pollution from upstream areas still leads to water quality issues downstream. Our results highlight the need to go beyond the SDG-target for wastewater treatment in order to achieve the overarching goal of clean water for all.
Machine learning and deep learning applications in microbiome research
Authors: Hernández Medina Ricardo , Kutuzova Svetlana , Nielsen Knud Nor , Johansen Joachim , Hansen Lars Hestbjerg , Nielsen Mads , Rasmussen Simon
Published: October 2022

The many microbial communities around us form interactive and dynamic ecosystems called microbiomes. Though concealed from the naked eye, microbiomes govern and influence macroscopic systems including human health, plant resilience, and biogeochemical cycling. Such feats have attracted interest from the scientific community, which has recently turned to machine learning and deep learning methods to interrogate the microbiome and elucidate the relationships between its composition and function. Here, we provide an overview of how the latest microbiome studies harness the inductive prowess of artificial intelligence methods. We start by highlighting that microbiome data – being compositional, sparse, and high-dimensional – necessitates special treatment. We then introduce traditional and novel methods and discuss their strengths and applications. Finally, we discuss the outlook of machine and deep learning pipelines, focusing on bottlenecks and considerations to address them.
Development of a hydrocolloid bio-ink for 3D bioprinting
Authors: Yildirim Özüm , Arslan-Yildiz Ahu
Published: October 2022

Development of new hydrocolloid bio-ink from quince seed and utilization for 3D cell culture.
The atomic defects on the (104) and (110) surfaces of the MgCl2-supported Ziegler–Natta catalyst: a periodic DFT study
Authors: Guo Xing , Shao Yunqi , Luo Jun , Liu Zhen , Liu Boping
Published: October 2022

This work presents a DFT study on the effects of atomic defects in the MgCl2-supported Ziegler–Natta catalyst. The adsorption behaviours of TiCl4 and internal donors on the ideal and defective MgCl2(104) and (110) surfaces were investigated.
Selective catalytic reduction of NOx over micro-/meso-/macroporous Cu-SAPO-34
Authors: Jabłońska Magdalena , Góra-Marek Kinga , Fernadi Lukman Muhammad , Tarach Karolina , Bertmer Marko , Denecke Reinhard , Poppitz David , Marcinowski Konstantin , Pöppl Andreas , Gläser Roger
Published: October 2022

Micro-/meso-/macroporous Cu-containing SAPO-34 prepared by the post-synthetic modification of a commercial support with diethylamine (DEA), shows enhanced activity in NH3-SCR-DeNOx.
The effects of metal cofactors on the reactivity of quercetin 2,4-dioxygenase: synthetic model studies with M(ii)-complexes (M = Mn, Co, Ni, Cu, Zn) and assessment of the regulatory factors in catalytic efficacy
Authors: Podder Nirmalya , Mandal Sukanta
Published: October 2022

This paper demonstrates the metal ion effects on the dioxygenation of flavonol catalysed by M(ii)-complexes (M = Mn, Co, Ni, Cu, Zn) as functional models of quercetin 2,4-dioxygenase-like reactivity.
Piezo-responsive bismuth ferrite nanoparticle-mediated catalytic degradation of rhodamine B and pathogenicE. coliin aqueous medium and its extraction using external magnetic stimulation after successful treatment
Authors: Roy Jhilik , Mukhopadhyay Leenia , Bardhan Souravi , Mondal Dhananjoy , Ghosh Saheli , Chakraborty Sudip , Bag Neelanjana , Roy Shubham , Basu Ruma , Das Sukhen
Published: October 2022

Piezocatalytic bismuth ferrite nanoparticles (BFO) were used for the degradation of organic dye (RhB) and pathogenic bacteria (E. coli), then extracted using external magnetic stimulation after the successful operation.
Polymer induced liquid crystal phase behavior of cellulose nanocrystal dispersions
Authors: Sun Qiyao , Lutz-Bueno Viviane , Zhou Jiangtao , Yuan Ye , Fischer Peter
Published: October 2022

Depletion induced attraction forces by the addition of PEG has been demonstrated to enable precise tuning of CNC self-assembly and liquid crystal phase behavior with controllable mechanical strength and optical activity.
Recent advances of aminoazanium salts as amination reagents in organic synthesis
Authors: Xu Jianeng , Chen Du , Liu Chao
Published: October 2022

This review summarizes the utilization of aminoazaniums as amination reagents in organic synthesis, including the amination of aldehydes, boronic esters, olefins, etc.
(3 + 2) cycloaddition of 2-alkoxynaphthalenes with azaoxyallyl cations: access to benzo[e]indolones
Authors: Biswas Subrata , Duari Surajit , Maity Srabani , Roy Arnab , Elsharif Asma M. , Biswas Srijit
Published: October 2022

A route to functionalized benzo[e]indolones has been reported via (3 + 2) cycloaddition of in situ generated azaoxyallyl cations with alkoxynaphthalene followed by aryl C–O bond cleavage. The intermediate adduct has been isolated and characterized.
Recent advances in the self-assembly of sparsely grafted amphiphilic copolymers in aqueous solution
Authors: Sakamoto Yusuke , Nishimura Tomoki
Published: October 2022

This review describes the self-assembly of sparsely grafted amphiphilic copolymers and highlights the effects of structural factors and solvents on their self-assembly behaviour.
Efficient one-pot synthesis of the unexpected fused multicyclic iminosugars by an aza-Diels–Alder mechanism
Authors: Wu Jilai , Su Lulu , Jia Tongguan , Xu Xiaoming , Cui Yaxin , Wei Chao , Li Xiaoliu , Chen Hua
Published: October 2022

A simple and efficient one-pot protocol has been developed by an aza-Diels–Alder mechanism for the stereoselective synthesis of novel fused multicyclic iminosugars with structural diversity.
Electronic structure, magnetoresistance and spin filtering in graphene|2 monolayer-CrI33|graphene van der Waals magnetic tunnel junctions
Authors: Zhang Yibin , Liu Jie , Deng Renhao , Shi Xuan , Tang Huan , Chen Hong , Yuan Hongkuan
Published: October 2022

We investigate the structural configuration, electronic structure and spin-polarized quantum transport of graphene|2 monolayer-CrI3|graphene heterostructure with Ag(111) layers as the electrode, using density functional theory.
Chronoampermetric detection of enzymatic glucose sensor based on doped polyindole/MWCNT composites modified onto screen-printed carbon electrode as portable sensing device for diabetes
Authors: Phasuksom Katesara , Sirivat Anuvat
Published: October 2022

The enzymatic glucose sensor based on a dPIn and dPIn/MWCNT modified screen-printed carbon electrode with a facile method possessed good glucose response. The detectable glucose concentration range covers well the glucose concentrations in urine and blood.
A DFT prediction of two-dimensional MB3 (M = V, Nb, and Ta) monolayers as excellent anode materials for lithium-ion batteries
Authors: Wang Jiahui , Bai Lina , Zhao Xiangru , Gao Hong , Niu Li
Published: October 2022

The boron-exposed MB3 monolayers (M = V, Nb and Ta) formed by interpenetrating MB4 units have high Li-ion capacities.
A disulphide bond-mediated hetero-dimer of a hemoprotein and a fluorescent protein exhibiting efficient energy transfer
Authors: Soon Julian Wong , Oohora Koji , Hayashi Takashi
Published: October 2022

Hetero-dimerization of a hemoprotein and green fluorescent proteinviaa thiol–disulphide exchange reaction is achieved. The heterodimer has suitable cross-linking points and displays efficient energy transfer.
Base-promoted highly efficient synthesis of nitrile-substituted cyclopropanes via Michael-initiated ring closure
Authors: Ye Min , Xu Fan , Bai Yun , Zhang Fanglian , Wang Wenjia , Qian Yiping , Chen Zhengwang
Published: October 2022

An efficient base-promoted synthesis of nitrile-substituted cyclopropanes from 2-arylacetonitriles and α-bromoennitriles under mild conditions via Michael-initiated ring closure.
Nanochannel-dependent power generation performance of NiAl-LDH/SiO2-based generators driven by natural water evaporation
Authors: Qu Jiangying , Tu Jingjing , Guan Chunqian , Gao Feng , Zang Yunhao
Published: October 2022

NiAl-LDH/SiO2 stacks were used to construct different nanochannels and a smaller nanochannel resulted in a higher electric potential.
High-rate electrochemical lithium-ion storage through Li+ intercalation pseudocapacitance in the Pr1/3NbO3 anode
Authors: Liang Guisheng , Yang Liting , Xiong Xuhui , Liu Xianhu , Zhang Xuefeng , Che Renchao
Published: October 2022

The significant Li+ intercalation pseudocapacitive behavior of the Pr1/3NbO3 anode enables fast- and stable-Li+ storage.
Constructing an all zero-dimensional CsPbBr3/CdSe heterojunction for highly efficient photocatalytic CO2reduction
Authors: Yin Guilin , Qi Xiaosi , Chen Yanli , Peng Qiong , Jiang Xingxing , Wang Qinglong , Zhang Wenhua , Gong Xiu
Published: October 2022

The zero-dimensional CsPbBr3/CdSe heterojunction facilitates charge transfer through Pb–Se and Cd–Br bonds and provides abundant active sites in the unique structure, resulting in efficient photocatalytic CO2reduction.
Template molecular weight-dependent PEDOT surface energy: impact on the photovoltaic performance of bulk-heterojunctions
Authors: Li Yuda , Xiang Huaxiang , Wang Jingyu , Gao Bowen , Tang Jingming , Xiao Cong , Wang Xunchang , Wang Feng
Published: October 2022

A simple strategy based on the template Mw effect is developed for the realization of high-performance PEDOT AIMs with continuous gradient surface energies, and we found that low surface energy donor (or acceptor) based BHJs favor low surface energy PEDOT.
HSA-templated self-generation of gold nanoparticles for tumor vaccine delivery and combinational therapy
Authors: Zhang Dan , Liu Pengran , Qin Xianya , Cheng Lu , Wang Fuqian , Xiong Xin , Huang Chuanqi , Zhang Zhiping
Published: October 2022

Self-generated AuNPs based on HSA can elevate the delivery efficiency of peptides vaccine, inducing photothermal transduction and thus amplify the immune response.
Glutathione-depletion reinforced enzyme catalytic activity for photothermal assisted bacterial killing by hollow mesoporous CuO
Authors: Shi Hanzhu , Ban Chengyang , Dai Chenwei , Li Chengwang , Zhou Xiuhong , Xia Ru , Qian Jiasheng , Cao Ming
Published: October 2022

Hollow mesoporous CuO nanozyme with GSH-depletion enhanced the enzyme catalytic activity for photothermal-assisted bacterial killing.
One-pot synthesis of efficient multifunctional nitrogen-doped carbon dots with efficient yellow fluorescence emission for detection of hypochlorite and thiosulfate
Authors: Gao Yifang , Liu Yang , Zhang Huilin , Lu Wenjing , Jiao Yuan , Shuang Shaomin , Dong Chuan
Published: October 2022

CD-based ratiometric fluorescence probes are of great significance for visual detection, but accomplishing this goal is still a particularly challenging task.
Recent progress of lead-free bismuth-based perovskite materials for solar cell applications
Authors: Cui Yuhang , Yang Li , Wu Xuejiao , Deng Jidong , Zhang Xiaoli , Zhang Jinbao
Published: October 2022

In this paper, the progress made in optimizing the structures, composition, crystallization kinetics and device performance of bismuth-based perovskite materials is reviewed to show some of the opportunities and challenges they have encountered.
Heterostructured nanochannels with modulated ionic current rectification for ultrasensitive detection of Hg2+
Authors: Ma Wenrui , Liu Lulu , Zhang Xu , Liu Xingfei , Xu Yi , Li Shunbo , Zeng Muling
Published: October 2022

A sensor with heterostructured nanochannels consisting of a porous Nafion membrane and a DNA functionalized AAO membrane was designed for the sensitive detection of mercury ions with LOD of 1 pM due to the change of rectified ionic currents.
Superior piezoelectricity and resistivity in CaBi2Nb2O9 high-temperature piezoelectric ceramics: synergy of structural distortion and weak texturing
Authors: Pan Chengbing , Zhao Gaochao , Li Sumei , Wang Xuelian , Wang Jiamingzhu , Tao Ming , Zhang Xuekai , Yang Cheng , Xu Juping , Yin Wen , Yin Lihua , Song Wenhai , Tong Peng , Zhu Xuebin , Yang Jie , Sun Yuping
Published: October 2022

The polycrystalline CaBi2Nb2O9 ceramics with the addition of B2O3 can realize a large d33 of 20.4 pC N−1 and an ultra-high electrical resistivity of 1.4 × 107 Ω cm (at 600 °C), while still retaining a high TC of 958 °C.
Submerged comminution of lithium-ion batteries in water in inert atmosphere for safe recycling
Authors: Uda Tetsuya , Kishimoto Akihiro , Yasuda Kouji , Taninouchi Yu-ki
Published: October 2022

Lithium-ion batteries are crushed in lime water in an inert N2 atmosphere to inactivate them. N2 flow reduces the risk of hydrogen explosion, and water absorbs the reaction heat.
Age-Based Trends in Cognitive-Communication Management for Adults in Subacute Rehabilitation Following New Onset Traumatic Brain Injury
Authors: Shorland Joanna , Douglas Jacinta , O'Halloran Robyn
Published: October 2022

Purpose:

Although traumatic brain injury (TBI) has a disproportionate impact on older adults, there has been limited inclusion of these individuals in post-TBI cognitive-communication research. This study was undertaken to compare demographic and injury characteristics, speech-language pathology input, and broad outcomes for younger and older adults admitted to inpatient rehabilitation following TBI.

Method:

A retrospective audit of first occasion adult TBI admissions in 2019 to inpatient rehabilitation in an Australian metropolitan subacute hospital was conducted via medical record data. Admissions were located using
International Statistical Classification of Diseases, Tenth Revision, Australian Modification (ICD-10-AM)
coding that aligned with TBI. Comparisons were made for younger (18–54 years) and older (≥ 55 years) adults.

Results:

A total of 114 admissions (51.75% older adults) were included. Patient age ranged between 18 and 90 years. Falls caused TBI in the majority of older adults, whereas transport-related accidents were the most common cause for younger adults. Age-based trends for intracranial injury were observed. Cognitive-communication difficulties were the most common speech-language pathology diagnosis with no significant difference in prevalence between younger and older adults. Age group was not significantly associated with length of stay or discharge home.

Conclusions:

The implications of injury-related trends for older adults on post-TBI cognitive-communication are poorly understood. This lack of information is problematic given the frequency of cognitive-communication difficulties in this population. Research into cognitive-communication following new onset TBI in older adults is crucial to support rehabilitation service provision and improve outcomes for older adults.
Physicochemical and biological evaluation of chondroitin sulphate calcium phosphate cements using tetracalcium phosphate nanorod and microparticle powders
Authors: Jahandideh Rahim , Behnamghader Aliasghar , Hesaraki Saeed
Published: October 2022

Tetracalcium phosphate (TTCP) is one of the main powder components in self‐setting calcium phosphate cements. In this study, two types of chondroitin sulphate calcium phosphate cements were prepared using nanoscale rod‐like (R‐TTCP) and conventional irregular shape (C‐TTCP) microscale powders. R‐TTCP and C‐TTCP powders were synthesized by reverse microemulsion chemical process and conventional thermal method, respectively. Adequate analyses and experiments such as XRD, FE‐SEM, setting time, porosity, compressive strength, degradation, bioactivity, cytotoxicity, and MG63 cell adhesion were conducted to illustrate physicochemical and resorbable cements specific properties. According to the results, both cements formed hydroxyapatite through the cementation process. The R‐TTCP cement revealed a slightly longer initial but no difference in final setting time, less compressive strength, higher porosity and better degradation behaviour compared to C‐TTCP one. Taking into consideration the initial porosity, the cement made from R‐TTCP powder presented more aptness to participate in ion exchange in SBF resulting to fill the 15% more initial porosity via the precipitation of hydroxyapatite mineral. From the biological point of view, analysis of cytotoxicity and MG63 osteoblastic‐cell behaviour proved that both the cements had good viability and proper cell adhesion and activity.
Neural network for determining an asteroid mineral composition from reflectance spectra
Authors: Korda David , Penttilä Antti , Klami Arto , Kohout Tomáš
Published: October 2022

Context.Chemical and mineral compositions of asteroids reflect the formation and history of our Solar System. This knowledge is also important for planetary defence and in-space resource utilisation. In the next years, space missions will generate extensive spectral datasets from asteroids or planets with spectra that will need to be processed in real time.

Aims.We aim to develop a fast and robust neural-network-based method for deriving the mineral modal and chemical compositions of silicate materials from their visible and near-infrared spectra. The method should be able to process raw spectra without significant pre-processing.

Methods.We designed a convolutional neural network with two hidden layers for the analysis of the spectra, and trained it using labelled reflectance spectra. For the training, we used a dataset that consisted of reflectance spectra of real silicate samples stored in the RELAB and C-Tape databases, namely olivine, orthopyroxene, clinopyroxene, their mixtures, and olivine-pyroxene-rich meteorites.

Results.We used the model on two datasets. First, we evaluated the model reliability on a test dataset where we compared the model classification with known compositional reference values. The individual classification results are mostly within 10 percentage-point intervals around the correct values. Second, we classified the reflectance spectra of S-complex (Q-type and V-type, also including A-type) asteroids with known Bus–DeMeo taxonomy classes. The predicted mineral chemical composition of S-type and Q-type asteroids agree with the chemical composition of ordinary chondrites. The modal abundances of V-type and A-type asteroids show a dominant contribution of orthopyroxene and olivine, respectively. Additionally, our predictions of the mineral modal composition of S-type and Q-type asteroids show an apparent depletion of olivine related to the attenuation of its diagnostic absorptions with space weathering. This trend is consistent with previous results of the slower pyroxene response to space weathering relative to olivine.

Conclusions.The neural network trained with real silicate samples and their mixtures is applicable for a quantitative mineral evaluation of spectra of asteroids that are rich in dry silicates. The modal abundances and mineral chemistry of common silicates (olivine and pyroxene) can be derived with an accuracy better than 10 percentage points. The classification is fast and has a relatively small computer-memory footprint. Therefore, our code is suitable for processing large spectral datasets in real time.