bluuebunny/crossref_metadata_2025 huggingface dataset:
Ruxolitinib and exemestane for estrogen receptor positive, aromatase inhibitor resistant advanced breast cancer
Authors: Makhlin Igor , McAndrew Nicholas P. , Wileyto E. Paul , Clark Amy S. , Holmes Robin , Bottalico Lisa N. , Mesaros Clementina , Blair Ian A. , Jeschke Grace R. , Fox Kevin R. , Domchek Susan M. , Matro Jennifer M. , Bradbury Angela R. , Feldman Michael D. , Hexner Elizabeth O. , Bromberg Jacqueline F. , DeMichele Angela
Published: November 2022

Circulating IL-6, an activator of JAK/STAT signaling, is associated with poor prognosis and aromatase inhibitor (AI) resistance in hormone-receptor positive (HR+) breast cancer. Here we report the results of a phase 2 single-arm Simon 2-stage trial combining Ruxolitinib, an oral selective inhibitor of JAK1/2, with exemestane, a steroidal AI, in patients with HR+ metastatic breast cancer (MBC) after progression on non-steroidal AI (NSAI). Safety and efficacy were primary objectives, and analysis of inflammatory markers as predictors of response was a key secondary objective. Twenty-five subjects enrolled. The combination of ruxolitinib and exemestane was safe, though anemia requiring transfusion in 5/15 (33%) at the 25 mg dose in stage 1 led to a reduction to 15 mg twice daily in stage 2 (with no additional transfusions). Clinical benefit rate (CBR) in the overall study population was 24% (95% CI 9.4–45.1); 6/25 patients demonstrated stable disease for ≥6 months. Median progression-free survival was 2.8 months (95% CI 2.6–3.9). Exploratory biomarkers revealed high levels of systemic inflammation and 60% harbored a high-risk IL-6 genotype. Pharmacodynamics demonstrated modest on-target inhibition of phosphorylated-STAT3 by ruxolitinib at a tolerable dose. Thus, ruxolitinib combined with exemestane at a tolerable dose was safe but minimally active in AI-resistant tumors of patients with high levels of systemic inflammation. These findings highlight the need for more potent and specific therapies targeting inflammation in MBC.
Data-driven pitting evolution prediction for corrosion-resistant alloys by time-series analysis
Authors: Jiang Xue , Yan Yu , Su Yanjing
Published: November 2022

Corrosion initiation and propagation are a time-series problem, evolving continuously with corrosion time, and future pitting behavior depends closely on the past. Predicting localized corrosion for corrosion-resistant alloys remains a great challenge, as macroscopic experiments and microscopic theoretical simulations cannot couple internal and external factors to describe the pitting evolution from a time dimension. In this work, a data-driven method based on time-series analysis was explored. Taking cobalt-based alloys and duplex stainless steels as the case scenario, a corrosion propagation model was built to predict the free corrosion potential (Ecorr) using a long short-term memory neural network (LSTM) based on 150 days of immersion testing in saline solution. Compared to traditional machine learning methods, the time-series analysis method was more consistent with the evolution of ground truth in the Ecorr prediction of the subsequent 70 days’ immersion, illustrating that time-series dependency of pitting propagation could be captured and utilized.
Treadmill training in Parkinson’s disease is underpinned by the interregional connectivity in cortical-subcortical network
Authors: Ding Hao , Droby Amgad , Anwar Abdul Rauf , Bange Manuel , Hausdorff Jeffrey M. , Nasseroleslami Bahman , Mirelman Anat , Maidan Inbal , Groppa Sergiu , Muthuraman Muthuraman
Published: November 2022

Treadmill training (TT) has been extensively used as an intervention to improve gait and mobility in patients with Parkinson’s disease (PD). Regional and global effects on brain activity could be induced through TT. Training effects can lead to a beneficial shift of interregional connectivity towards a physiological range. The current work investigates the effects of TT on brain activity and connectivity during walking and at rest by using both functional near-infrared spectroscopy and functional magnetic resonance imaging. Nineteen PD patients (74.0 ± 6.59 years, 13 males, disease duration 10.45 ± 6.83 years) before and after 6 weeks of TT, along with 19 age-matched healthy controls were assessed. Interregional effective connectivity (EC) between cortical and subcortical regions were assessed and its interrelation to prefrontal cortex (PFC) activity. Support vector regression (SVR) on the resting-state ECs was used to predict prefrontal connectivity. In response to TT, EC analysis indicated modifications in the patients with PD towards the level of healthy controls during walking and at rest. SVR revealed cerebellum related connectivity patterns that were associated with the training effect on PFC. These findings suggest that the potential therapeutic effect of training on brain activity may be facilitated via changes in compensatory modulation of the cerebellar interregional connectivity.
Disengagement from early psychosis intervention services: an observational study informed by a survey of patient and family perspectives
Authors: Polillo Alexia , Voineskos Aristotle N. , Foussias George , Kidd Sean A. , Bromley Sarah , Soklaridis Sophie , Wang Wei , Stergiopoulos Vicky , Kozloff Nicole
Published: November 2022

Approximately one-third of patients with early psychosis disengage from services before the end of treatment. We sought to understand patient and family perspectives on early psychosis intervention (EPI) service engagement and use these findings to elucidate factors associated with early disengagement, defined as dropout from EPI in the first 9 months. Patients aged 16–29 referred to a large EPI program between July 2018-February 2020 and their family members were invited to complete a survey exploring facilitators and barriers to service engagement. A prospective chart review was conducted for 225 patients consecutively enrolled in the same EPI program, receiving the NAVIGATE model of coordinated specialty care, between July 2018-May 2019. We conducted a survival analysis, generating Kaplan–Meier curves depicting time to disengagement and Cox proportional hazards models to determine rate of disengagement controlling for demographic, clinical, and program factors. The survey was completed by 167 patients and 79 family members. The top endorsed engagement facilitator was related to the therapeutic relationship in both patients (36.5%) and families (43.0%). The top endorsed barrier to engagement was medication side effects in both patients (28.7%) and families (39.2%). In Cox proportional hazards models, medication nonadherence (HR = 2.37, 95% CI = 1.17–4.80) and use of individual psychotherapy (HR = .460, 95% CI = 0.220–0.962) were associated with early disengagement, but some of the health equity factors expected to affect engagement were not. Findings suggest that delivery of standardized treatment may buffer the effects of health disparities on service disengagement in early psychosis.
Benchmarking second and third-generation sequencing platforms for microbial metagenomics
Authors: Meslier Victoria , Quinquis Benoit , Da Silva Kévin , Plaza Oñate Florian , Pons Nicolas , Roume Hugo , Podar Mircea , Almeida Mathieu
Published: November 2022

Shotgun metagenomic sequencing is a common approach for studying the taxonomic diversity and metabolic potential of complex microbial communities. Current methods primarily use second generation short read sequencing, yet advances in third generation long read technologies provide opportunities to overcome some of the limitations of short read sequencing. Here, we compared seven platforms, encompassing second generation sequencers (Illumina HiSeq 300, MGI DNBSEQ-G400 and DNBSEQ-T7, ThermoFisher Ion GeneStudio S5 and Ion Proton P1) and third generation sequencers (Oxford Nanopore Technologies MinION R9 and Pacific Biosciences Sequel II). We constructed three uneven synthetic microbial communities composed of up to 87 genomic microbial strains DNAs per mock, spanning 29 bacterial and archaeal phyla, and representing the most complex and diverse synthetic communities used for sequencing technology comparisons. Our results demonstrate that third generation sequencing have advantages over second generation platforms in analyzing complex microbial communities, but require careful sequencing library preparation for optimal quantitative metagenomic analysis. Our sequencing data also provides a valuable resource for testing and benchmarking bioinformatics software for metagenomics.
A century-long eddy-resolving simulation of global oceanic large- and mesoscale state
Authors: Ding Mengrong , Liu Hailong , Lin Pengfei , Meng Yao , Zheng Weipeng , An Bo , Luan Yihua , Yu Yongqiang , Yu Zipeng , Li Yiwen , Ma Jinfeng , Chen Jian , Chen Kangjun
Published: November 2022

Investigating oceanic variations at multiple spatial and temporal scales is vital for an in-depth understanding of the ocean response to global climate change. However, the available observational datasets contain uncertainties and deficiencies that leave them insufficient for investigating global ocean variability with long temporal scales and/or meso spatial scales. Here, we present a daily and century-long (1901–2010) global oceanic simulation dataset with high resolution (1/10° horizontal resolution and 55 vertical layers) forced by 6-hour atmospheric data from ERA-20C. Preliminary evaluations demonstrate that this simulation can realistically reproduce the large-scale global ocean circulation and capture the essential features of global surface mesoscale eddies. This long-running high-resolution simulation dataset provides temporally highly resolved oceanic and flux variables. Together with its good performance in simulating the global oceanic state, this eddy-resolving simulation has the potential to help toward a better understanding of ocean variability at multiple spatial and temporal scales.
Global Ocean Particulate Organic Phosphorus, Carbon, Oxygen for Respiration, and Nitrogen (GO-POPCORN)
Authors: Tanioka Tatsuro , Larkin Alyse A. , Moreno Allison R. , Brock Melissa L. , Fagan Adam J. , Garcia Catherine A. , Garcia Nathan S. , Gerace Skylar D. , Lee Jenna A. , Lomas Michael W. , Martiny Adam C.
Published: November 2022

Concentrations and elemental stoichiometry of suspended particulate organic carbon, nitrogen, phosphorus, and oxygen demand for respiration (C:N:P:−O2) play a vital role in characterizing and quantifying marine elemental cycles. Here, we present Version 2 of the Global Ocean Particulate Organic Phosphorus, Carbon, Oxygen for Respiration, and Nitrogen (GO-POPCORN) dataset. Version 1 is a previously published dataset of particulate organic matter from 70 different studies between 1971 and 2010, while Version 2 is comprised of data collected from recent cruises between 2011 and 2020. The combined GO-POPCORN dataset contains 2673 paired surface POC/N/P measurements from 70°S to 73°N across all major ocean basins at high spatial resolution. Version 2 also includes 965 measurements of oxygen demand for organic carbon respiration. This new dataset can help validate and calibrate the next generation of global ocean biogeochemical models with flexible elemental stoichiometry. We expect that incorporating variable C:N:P:-O2 into models will help improve our estimates of key ocean biogeochemical fluxes such as carbon export, nitrogen fixation, and organic matter remineralization.
A parallel integrated learning technique of improved particle swarm optimization and BP neural network and its application
Authors: Li Jingming , Dong Xu , Ruan Sumei , Shi Lei
Published: November 2022

Swarm intelligence algorithm has attracted a lot of interest since its development, which has been proven to be effective in many application areas. In this study, an enhanced integrated learning technique of improved particle swarm optimization and BPNN (Back Propagation Neural Network) is proposed. First, the theory of good point sets is used to create a particle swarm with a uniform initial spatial distribution. So a good point set adaptive particle swarm optimization (GPSAPSO) algorithm was created by using a multi-population co-evolution approach and introducing a function that dynamically changes the inertia weights with the number of iterations. Sixteen benchmark functions were used to confirm the efficacy of the algorithm. Secondly, a parallel integrated approach combining the GPSAPSO algorithm and the BPNN was developed and utilized to build a water quality prediction model. Finally, four sets of cross-sectional data of the Huai River in Bengbu, Anhui Province, China, were used as simulation data for experiments. The experimental results show that the GPSAPSO-BPNN algorithm has obvious advantages compared with TTPSO-BPNN, NSABC-BPNN, IGSO-BPNN and CRBA-BPNN algorithms, which improves the accuracy of water quality prediction results and provides a scientific basis for water quality monitoring and management.
Microstructures at the distal tip of ant chemosensory sensilla
Authors: Gellert Hannah R. , Halley Daphné C. , Sieb Zackary J. , Smith Jody C. , Pask Gregory M.
Published: November 2022

Ants and other eusocial insects emit and receive chemical signals to communicate important information within the colony. In ants, nestmate recognition, task allocation, and reproductive distribution of labor are largely mediated through the detection of cuticular hydrocarbons (CHCs) that cover the exoskeleton. With their large size and limited volatility, these CHCs are believed to be primarily detected through direct contact with the antennae during behavioral interactions. Here we first use scanning electron microscopy to investigate the unique morphological features of CHC-sensitive basiconic sensilla of two ant species, the black carpenter ant Camponotus pennsylvanicus and the Indian jumping ant Harpegnathos saltator. These basiconic sensilla possess an abundance of small pores typical of most insect olfactory sensilla, but also have a large concave depression at the terminal end. Basiconic sensilla are enriched at the distal segments of the antennae in both species, which aligns with their proposed role in contact chemosensation of CHCs. A survey of these sensilla across additional ant species shows varied microstructures at their tips, but each possess surface textures that would also increase sensory surface area. These unique ant chemosensory sensilla represent yet another example of how specialized structures have evolved to serve the functional requirements of eusocial communication.
Benchmarking AutoML for regression tasks on small tabular data in materials design
Authors: Conrad Felix , Mälzer Mauritz , Schwarzenberger Michael , Wiemer Hajo , Ihlenfeldt Steffen
Published: November 2022

Machine Learning has become more important for materials engineering in the last decade. Globally, automated machine learning (AutoML) is growing in popularity with the increasing demand for data analysis solutions. Yet, it is not frequently used for small tabular data. Comparisons and benchmarks already exist to assess the qualities of AutoML tools in general, but none of them elaborates on the surrounding conditions of materials engineers working with experimental data: small datasets with less than 1000 samples. This benchmark addresses these conditions and draws special attention to the overall competitiveness with manual data analysis. Four representative AutoML frameworks are used to evaluate twelve domain-specific datasets to provide orientation on the promises of AutoML in the field of materials engineering. Performance, robustness and usability are discussed in particular. The results lead to two main conclusions: First, AutoML is highly competitive with manual model optimization, even with little training time. Second, the data sampling for train and test data is of crucial importance for reliable results.
Optogenetic restoration of high sensitivity vision with bReaChES, a red-shifted channelrhodopsin
Authors: Too Lay Khoon , Shen Weiyong , Protti Dario A. , Sawatari Atomu , A. Black Dylan , Leamey Catherine A. , Y. Huang Jin , Lee So-Ra , E. Mathai Ashish , Lisowski Leszek , Y. Lin John , C. Gillies Mark , Simunovic Matthew P.
Published: November 2022

The common final pathway to blindness in many forms of retinal degeneration is the death of the light-sensitive primary retinal neurons. However, the normally light-insensitive second- and third-order neurons persist optogenetic gene therapy aims to restore sight by rendering such neurons light-sensitive. Here, we investigate whether bReaChES, a newly described high sensitivity Type I opsin with peak sensitivity to long-wavelength visible light, can restore vision in a murine model of severe early-onset retinal degeneration. Intravitreal injection of an adeno-associated viral vector carrying the sequence for bReaChES downstream of the calcium calmodulin kinase IIα promoter resulted in sustained retinal expression of bReaChES. Retinal ganglion cells (RGCs) expressing bReaChES generated action potentials at light levels consistent with bright indoor lighting (from 13.6 log photons cm−2 s−1). They could also detect flicker at up to 50 Hz, which approaches the upper temporal limit of human photopic vision. Topological response maps of bReaChES-expressing RGCs suggest that optogenetically activated RGCs may demonstrate similar topographical responses to RGCs stimulated by photoreceptor activation. Furthermore, treated dystrophic mice displayed restored cortical neuronal activity in response to light and rescued behavioral responses to a looming stimulus that simulated an aerial predator. Finally, human surgical retinal explants exposed to the bReaChES treatment vector demonstrated transduction. Together, these findings suggest that intravitreal gene therapy to deliver bReaChES to the retina may restore vision in human retinal degeneration in vivo at ecologically relevant light levels with spectral and temporal response characteristics approaching those of normal human photopic vision.
An Online experiment during the 2020 US–Iran crisis shows that exposure to common enemies can increase political polarization
Authors: Jahani Eaman , Gallagher Natalie , Merhout Friedolin , Cavalli Nicolo , Guilbeault Douglas , Leng Yan , Bail Christopher A.
Published: November 2022

A longstanding theory indicates that the threat of a common enemy can mitigate conflict between members of rival groups. We tested this hypothesis in a pre-registered experiment where 1670 Republicans and Democrats in the United States were asked to complete an online social learning task with a bot that was labeled as a member of the opposing party. Prior to this task, we exposed respondents to primes about (a) a common enemy (involving Iran and Russia); (b) a patriotic event; or (c) a neutral, apolitical prime. Though we observed no significant differences in the behavior of Democrats as a result of priming, we found that Republicans—and particularly those with very strong conservative views—were significantly less likely to learn from Democrats when primed about a common enemy. Because our study was in the field during the 2020 Iran Crisis, we were able to further evaluate this finding via a natural experiment—Republicans who participated in our study after the crisis were even less influenced by the beliefs of Democrats than those Republicans who participated before this event. These findings indicate common enemies may not reduce inter-group conflict in highly polarized societies, and contribute to a growing number of studies that find evidence of asymmetric political polarization in the United States. We conclude by discussing the implications of these findings for research in social psychology, political conflict, and the rapidly expanding field of computational social science.
Ensemble machine learning identifies genetic loci associated with future worsening of disability in people with multiple sclerosis
Authors: Fuh-Ngwa Valery , Zhou Yuan , Melton Phillip E. , van der Mei Ingrid , Charlesworth Jac C. , Lin Xin , Zarghami Amin , Broadley Simon A. , Ponsonby Anne-Louise , Simpson-Yap Steve , Lechner-Scott Jeannette , Taylor Bruce V.
Published: November 2022

Limited studies have been conducted to identify and validate multiple sclerosis (MS) genetic loci associated with disability progression. We aimed to identify MS genetic loci associated with worsening of disability over time, and to develop and validate ensemble genetic learning model(s) to identify people with MS (PwMS) at risk of future worsening. We examined associations of 208 previously established MS genetic loci with the risk of worsening of disability; we learned ensemble genetic decision rules and validated the predictions in an external dataset. We found 7 genetic loci (rs7731626: HR 0.92, P = 2.4 × 10–5; rs12211604: HR 1.16, P = 3.2 × 10–7; rs55858457: HR 0.93, P = 3.7 × 10–7; rs10271373: HR 0.90, P = 1.1 × 10–7; rs11256593: HR 1.13, P = 5.1 × 10–57; rs12588969: HR = 1.10, P = 2.1 × 10–10; rs1465697: HR 1.09, P = 1.7 × 10–128) associated with risk worsening of disability; most of which were located near or tagged to 13 genomic regions enriched in peptide hormones and steroids biosynthesis pathways by positional and eQTL mapping. The derived ensembles produced a set of genetic decision rules that can be translated to provide additional prognostic values to existing clinical predictions, with the additional benefit of incorporating relevant genetic information into clinical decision making for PwMS. The present study extends our knowledge of MS progression genetics and provides the basis of future studies regarding the functional significance of the identified loci.
The role of hand size in body representation: a developmental investigation
Authors: Cowie Dorothy , Gottwald Janna M. , Bird Laura-Ashleigh , Bremner Andrew J.
Published: November 2022

Knowledge of one’s own body size is a crucial facet of body representation, both for acting on the environment and perhaps also for constraining body ownership. However, representations of body size may be somewhat plastic, particularly to allow for physical growth in childhood. Here we report a developmental investigation into the role of hand size in body representation (the sense of body ownership, perception of hand position, and perception of own-hand size). Using the rubber hand illusion paradigm, this study used different fake hand sizes (60%, 80%, 100%, 120% or 140% of typical size) in three age groups (6- to 7-year-olds, 12- to 13-year-olds, and adults; N = 229). We found no evidence that hand size constrains ownership or position: participants embodied hands which were both larger and smaller than their own, and indeed judged their own hands to have changed size following the illusion. Children and adolescents embodied the fake hands more than adults, with a greater tendency to feel their own hand had changed size. Adolescents were particularly sensitive to multisensory information. In sum, we found substantial plasticity in the representation of own-body size, with partial support for the hypothesis that children have looser representations than adults.
Evaluation of the competitiveness of the container multimodal port hub
Authors: Wan Min , Kuang Haibo , Yu Yue , Zhang Ruirui
Published: November 2022

The research on the competitiveness of container multimodal transport port hub, comprehensively considering the software and hardware strength of port hub, is of great significance to analyze the specific source competitiveness of port hub, the optimal allocation of multimodal transport capacity resources and port operation management planning. Based on this, according to the principle of fuzzy set and membership function in fuzzy theory, this paper adopts the modeling method of multi-attribute decision-making to deeply analyze the key influencing factors of port hub competitiveness, extract the core indicators from the four aspects of business capacity, transport capacity resources, infrastructure and service quality, and then construct the fuzzy multi-attribute decision-making evaluation model of port hub competitiveness, and take the container transportation in Northeast China as an example. The research shows that the key influencing factors of multimodal transport port hub competitiveness have changed from traditional infrastructure factors to flexible influencing factors such as transportation service quality, transportation capacity and resource integration ability, transportation business efficiency, and port enterprises are in the critical period of industry transformation and upgrading. Strengthening inter industry integration, building industrial ecological alliance and building a multi-mode transportation integrated service chain with port as the core play an obvious role in promoting the formation of the core competitiveness of port hub. Among the ports along the coast of Liaoning, Yingkou Port has the strongest competitiveness against the supply of corn containers in Northeast China, and the competitiveness of other ports from strong to weak is Jinzhou port, Beiliang port, Panjin Port, Huludao port, Dandong port, Dalian port and Suizhong port. The research results enrich the theoretical system of multimodal transport port hub competitiveness research, and provide reference suggestions for port enterprises, transportation enterprises, government departments and other relevant subjects in strategy formulation, policy implementation, layout planning and so on.
Harnessing interpretable machine learning for holistic inverse design of origami
Authors: Zhu Yi , Filipov Evgueni T.
Published: November 2022

This work harnesses interpretable machine learning methods to address the challenging inverse design problem of origami-inspired systems. We established a work flow based on decision tree-random forest method to fit origami databases, containing both design features and functional performance, and to generate human-understandable decision rules for the inverse design of functional origami. First, the tree method is unique because it can handle complex interactions between categorical features and continuous features, allowing it to compare different origami patterns for a design. Second, this interpretable method can tackle multi-objective problems for designing functional origami with multiple and multi-physical performance targets. Finally, the method can extend existing shape-fitting algorithms for origami to consider non-geometrical performance. The proposed framework enables holistic inverse design of origami, considering both shape and function, to build novel reconfigurable structures for various applications such as metamaterials, deployable structures, soft robots, biomedical devices, and many more.
Improved identification of pollution source attribution by using PAH ratios combined with multivariate statistics
Authors: Mali Matilda , Ragone Rosa , Dell’Anna Maria Michela , Romanazzi Giuseppe , Damiani Leonardo , Mastrorilli Piero
Published: November 2022

Polycyclic aromatic hydrocarbons (PAHs) are contaminants introduced by different pathways in the marine ecosystem, affecting both aquatic and sediment bodies. Identification of their sources is of vital importance for protecting the marine ecosystem. The attribution of the pollution sources is usually made by using diagnostic molecular ratios of PAHs isomers. The reliability of this approach diminishes when PAHs contents are measured far from their original source, for example in water bodies or in bottom sediments. Conventionally the source attribution is based on time consuming univariate methods. In the present work coupling of molecular ratios with advanced supervised statistical techniques was used to increase the accuracy of the PAH source attribution in bottom sediments. Data on PAHs distribution within 5 port areas, with known pattern port activity, were collected. Evaluation of multiple PAHs ratios at once by means of supervised OPLS-DA technique was performed. A robust descriptive and predictive model was set up and successfully validated. The proposed methodology helps identify PAH transport pathways, highlighting interactions between pollution patterns, port activities and coastal land-use supporting decision makers in defining monitoring and mitigation procedures.
Female sexual function in different phenotypes of polycystic ovarian syndrome: a comparative cross-sectional study
Authors: Yarjanli Mahsa , Jahanian Sadatmahalleh Shahideh , Mirzaei Negin , Azarbajani Khadijeh
Published: November 2022

Polycystic ovary syndrome (PCOS) coexisting mood disorders along with a combination of aesthetic manifestations may have a detrimental effect on women's sexual function. Hence, different phenotypes of PCOS have different clinical and biochemical signs and symptoms. The aim of this study was to compare women's sexual function (SF) in different phenotypes of PCOS. This cross-sectional study was conducted on 364 women who met the Rotterdam diagnostic criteria to compare different PCOS phenotypes (A = 95, B = 79, C = 95, and D = 95) and 100 non PCOS women in control group. All participants were invited to fill out the female sexual function index (FSFI). Significant differences were observed between the different phenotypes and control group in terms of the total score, sexual desire, arousal, lubrication, and satisfaction (P < 0.001); however, no significant differences were found between different phenotypes in terms of pain (P > 0.05) and orgasm (P > 0.05) but difference was significant between different phenotypes and control group. In addition, phenotype B had the lowest mean score of total FSFI (P < 0.05). The results indicated that women's SF is significantly different in different PCOS phenotypes. It is concluded that in order to solve the SF problems of women with PCOS, different treatment and care measures should be considered according to the relevant phenotype.
Landscape of potentially targetable receptor tyrosine kinase fusions in diverse cancers by DNA-based profiling
Authors: Wang Tiantian , Wei Li , Lu Qiang , Shao Yanmei , You Shuqing , Yin Jiani C. , Wang Sha , Shao Yang , Chen Zhanhong , Wang Zhe
Published: November 2022

Recurrent fusions of receptor tyrosine kinases (RTKs) are often driving events in tumorigenesis that carry important diagnostic value and are potentially targetable by the increasing number of tyrosine kinase inhibitors (TKIs). Here, we characterized the spectrum of 1324 RTK fusions with intact kinase domains in solid tumors by DNA-based high-throughput sequencing. Overall, the prevalence of RTK fusions were 4.7%, with variable frequencies and diverse genomic structures and fusion partners across cancer types. Cancer types, such as thyroid cancers, urological cancers and neuroendocrine tumors are selective in the RTK fusions they carry, while others exhibit highly complex spectra of fusion events. Notably, most RTKs were promiscuous in terms of the partner genes they recombine with. A large proportion of RTK fusions had one of the breakpoints localized to intergenic regions. Comprehensive genomic profiling revealed differences in co-mutational patterns pre- and post-TKI treatments across various RTK fusions. At baseline, multiple cases were detected with co-occurring RTK fusions or concomitant oncogenic mutations in driver genes, such as KRAS and EGFR. Following TKI resistance, we observed differences in potential on- and off-target resistance mutations among fusion variants. For example, the EML4-ALK v3 variant displayed more complex on-target resistance mechanisms, which might explain the reduced survival outcome compared with the v1 variant. Finally, we identified two lung cancer patients with MET+ and NTRK1+ tumors, respectively, who responded well to crizotinib treatment. Taken together, our findings demonstrate the diagnostic and prognostic values of screening for RTK fusions using DNA-based sequencing in solid tumors.
High-throughput determination of dry mass of single bacterial cells by ultrathin membrane resonators
Authors: Sanz-Jiménez Adrián , Malvar Oscar , Ruz Jose J. , García-López Sergio , Kosaka Priscila M. , Gil-Santos Eduardo , Cano Álvaro , Papanastasiou Dimitris , Kounadis Diamantis , Mingorance Jesús , Paulo Álvaro San , Calleja Montserrat , Tamayo Javier
Published: November 2022

How bacteria are able to maintain their size remains an open question. Techniques that can measure the biomass (dry mass) of single cells with high precision and high-throughput are demanded to elucidate this question. Here, we present a technological approach that combines the transport, guiding and focusing of individual bacteria from solution to the surface of an ultrathin silicon nitride membrane resonator in vacuum. The resonance frequencies of the membrane undergo abrupt variations at the instants where single cells land on the membrane surface. The resonator design displays a quasi-symmetric rectangular shape with an extraordinary capture area of 0.14 mm2, while maintaining a high mass resolution of 0.7 fg (1 fg = 10−15 g) to precisely resolve the dry mass of single cells. The small rectangularity of the membrane provides unprecedented frequency density of vibration modes that enables to retrieve the mass of individual cells with high accuracy by specially developed inverse problem theory. We apply this approach for profiling the dry mass distribution in Staphylococcus epidermidis and Escherichia coli cells. The technique allows the determination of the dry mass of single bacterial cells with an accuracy of about 1% at an unparalleled throughput of 20 cells/min. Finally, we revisit Koch & Schaechter model developed during 60 s to assess the intrinsic sources of stochasticity that originate cell size heterogeneity in steady-state populations. The results reveal the importance of mass resolution to correctly describe these mechanisms.
Nano-clustering mediates phase transitions in a diastereomerically-stabilized ferroelectric nematic system
Authors: Nishikawa Hiroya , Sano Koki , Kurihara Saburo , Watanabe Go , Nihonyanagi Atsuko , Dhara Barun , Araoka Fumito
Published: November 2022

In recent years, ferroelectric nematic liquid crystals have attracted considerable attention owing to their unique properties such as a colossal polarization, high electro-optic activity, and high fluidity. However, despite large efforts in designing and developing new ferrofluid molecules based on molecular parameters, the control and stabilization of ferroelectric nematic phase transitions remain challenging. Here, we discuss the impact of mixing 1,3-dioxane-tethered fluorinated (DIO) diastereomer molecules, namely transDIO and cisDIO, in controlling the ferroelectric nematic phase transition, using X-ray diffraction to investigate the effect of smectic cybotactic cluster formation. Our results show that the ferroelectric nematic phase transition can be tuned by a smooth exchange of the ferroelectric nematic transDIO and non-liquid crystal cisDIO components, where the similar dipole and molecular backbone of the two components ensures a consistent macroscopic polarization of the diastereomeric-controlled ferroelectric nematic phase.
Correlation between structural heart disease and cardiac SARS-CoV-2 manifestations
Authors: Nägele Felix , Graber Michael , Hirsch Jakob , Pölzl Leo , Sahanic Sabina , Fiegl Manuel , Hau Dominik , Engler Clemens , Lechner Sophia , Stalder Anna Katharina , Mertz Kirsten D. , Haslbauer Jasmin D. , Tzankov Alexandar , Grimm Michael , Tancevski Ivan , Holfeld Johannes , Gollmann-Tepeköylü Can
Published: November 2022

Background:

The prognosis of COVID-19 patients with cardiac involvement is unfavorable and it remains unknown which patients are at risk. The virus enters cells via its receptor angiotensin-converting enzyme 2 (ACE2). Myocardial ACE2 expression is increased in structural heart disease (SHD). We, therefore, aimed to analyze correlations between structural heart disease and cardiac SARS-CoV-2 manifestation.

Methods:

The clinical course of COVID-19 in patients with structural heart disease was assessed in a prospective cohort of 152 patients. The primary endpoints consisted of hospitalization and survival. Cardiac tissue of 23 autopsy cases with lethal COVID-19 course was obtained and analyzed for (a) the presence of SHD, (b) myocardial presence of SARS-CoV-2 via RT,-PCR, and (c) levels of ACE2 expression using immunofluorescence staining.

Results:

Structural heart disease is found in 67 patients, of whom 56 (83.60%) are hospitalized. The myocardium is positive for SARS-CoV-2 in 15 patients (65%) in 23 autopsy cases of lethal COVID-19. Moreover, most hearts with evidence of myocardial SARS-CoV-2 have structural heart disease [11 (91,67%) vs. 1 (8,33%), p = 0.029]. Myocardial presence of SARS-CoV-2 is correlated with a significant downregulation of ACE2 compared to negative control hearts (6.545 ± 1.1818 A.U. vs. 7.764 ± 2.411 A.U., p = 0.003). The clinical course of patients with cardiac SARS-CoV-2 manifestation is unfavorable, resulting in impaired survival (median, 12 days and 4.5 days, respectively, HR 0.30, 95% CI, 0.13 to 0.73, p = 0.0005)

Conclusions:

We provide evidence for a correlation between SHD, altered ACE2 receptor expression, and cardiac SARS-CoV-2 manifestation. Consequently, structural heart disease may be considered a distinct risk factor for a severe clinical course after infection with SARS-CoV-2.

Registration number local IRB:

Ethics Committee of Northwestern and Central Switzerland ID 2020-00629; Ethics Committee of the Medical University Innsbruck EK Nr: 1103/2020.

ClinicalTrials.gov number:

NCT04416100.
Renewable Resources for Surface Coatings, Inks, and Adhesives
Authors: Höfer Rainer
Published: November 2022

Providing a detailed survey of renewable raw materials for paints, inks and glues, this book is ideal for researchers and practitioners working in the areas of green chemistry, industrial chemistry and sustainability. Beginning with a brief history of coatings and adhesives, this book walks the reader through the chemistry, properties, sourcing and processing of a number of renewable raw materials, including lipids, natural resins, proteins, and carbohydrates. Their use in a range of recent developments and concepts from material protection, to decorative paints and coatings, adhesives and sealants is highlighted, providing the reader with a complete and modern foundation to the field.
A decade of developing applications exploiting the properties of polyelectrolyte multilayer capsules
Authors: Li Jie , Parakhonskiy Bogdan V. , Skirtach Andre G.
Published: November 2022

Various methods of encapsulation into and release from polyelectrolyte multilayer capsules are used to develop diverse applications.
Dual NHC/photoredox catalytic synthesis of 1,4-diketones using an MR-TADF photocatalyst (DiKTa)
Authors: Prentice Callum , Morrison James , Zysman-Colman Eli , Smith Andrew D.
Published: November 2022

The use of the recently reported organic multi-resonant thermally activated delayed fluorescent (MR-TADF) photocatalyst DiKTa allows for the modular synthesis of 1,4-diketones under mild and metal-free conditions.
Three-state fluorescence hydrochromism of a fluorophore–spacer–receptor system with variations in relative humidity
Authors: Ni Yanhai , Han Yishan , Kataev Evgeny A. , Olson Mark A.
Published: November 2022

Atmospheric water adsorbed hygroscopically with changes in relative humidity triggers changes in fluorescence emission wavelength for a charged fluorophore leading to three-state fluorescence hydrochromic switching in the solid state.
Retraction: CoH-catalyzed radical hydroalkylation of alkenes with 1,3-dicarbonyls
Authors: Guan Meihui , Miao Huanran , Qin Tao , Zhang Ge , Zhang Qian
Published: November 2022

Retraction of ‘CoH-catalyzed radical hydroalkylation of alkenes with 1,3-dicarbonyls’ by Meihui Guan et al., Chem. Commun., 2022, 58, 5265–5268, https://doi.org/10.1039/D2CC01382G.
Molecular self-assembly of DBBA on Au(111) at room temperature
Authors: Schneider Sebastian , Bytyqi Kushtrim , Kohaut Stephan , Bügel Patrick , Weinschenk Benjamin , Marz Michael , Kimouche Amina , Fink Karin , Hoffmann-Vogel Regina
Published: November 2022

We have investigated the self-assembly of the graphene nanoribbon precursor 10,10’-dibromo-9,9’-bianthryl (DBBA) oon Au(111) with frequency modulation scanning force microscopy (FM-SFM) at room temperature combined with ab initio calculations.
Photodissociation dynamics of N,N-dimethylformamide at 225 nm and 245 nm
Authors: Milesevic Dennis , Popat Divya , Robertson Patrick , Vallance Claire
Published: November 2022

Photolysis of N,N-dimethylformamide offers a model for cleavage of the peptide bond in proteins. Excitation from a range of molecular geometries at 225 and 245 nm primarily populates the S2 state, resulting in cleavage of the amide or N–CH3 bond.
Dynamic odd–even effect inn-alkane systems: a molecular dynamics study
Authors: Dhiman I. , Berg Marcella C. , Petridis Loukas , Smith Jeremy C , Gautam S.
Published: November 2022

Alternation in various properties ofn-alkanes (CnH2n+2) as a function of carbon content (n) is termed ‘odd–even effect’.
High throughput screening of norbornadiene/quadricyclane derivates for molecular solar thermal energy storage
Authors: Elholm Jacob Lynge , Hillers-Bendtsen Andreas Erbs , Hölzel Helen , Moth-Poulsen Kasper , Mikkelsen Kurt V.
Published: November 2022

We present a procedure for performing high throughput screening of molecular compounds for molecular solar thermal energy storage devices using extended tight binding (xTB) methods.
Molecular modeling of thin-film nanocomposite membranes for reverse osmosis water desalination
Authors: Shahbabaei Majid , Tang Tian
Published: November 2022

Molecular modeling can assist in understanding the transport and selective properties of thin-film nanocomposite membranes for reverse osmosis water desalination.
Extracting accurate information from triplet–triplet annihilation upconversion data with a mass-conserving kinetic model
Authors: Kalpattu Abhishek , Dilbeck Tristan , Hanson Kenneth , Fourkas John T.
Published: November 2022

Mass conservation is a key constraint in triplet–triplet annihilation upconversion. A kinetic model incorporating this constraint provides new insights into saturation, enables direct fitting of data, and suggests new performance metrics.
Expression of concern: Surface-dependent band structure variations and bond deviations of GaN
Authors: Tan Chih-Shan , Huang Michael H.
Published: November 2022

Expression of concern for ‘Surface-dependent band structure variations and bond deviations of GaN’ by Chih-Shan Tan et al., Phys. Chem. Chem. Phys., 2022, 24, 9135–9140, https://doi.org/10.1039/D2CP00100D.
Palladium(ii) ortho-cyano-aminothiophenolate (ocap) complexes
Authors: Al-Jibori Subhi A. , Al-Janabi Ahmed S. , Irzoqi Ahmed A. , Abdullah Ali I. A. , Basak-Modi Sucharita , Orton Georgia R. F. , Ghosh Shishir , Wagner Christof , Hogarth Graeme
Published: November 2022

Pd(ii) ortho-cyano-aminothiophenolate (ocap) complexes have been prepared and crystallographically characterised, binding either as an S,N-chelate or bridging via CN coordination in phosphine complexes.
Adsorption of flupyradifurone onto soils: kinetics, isotherms, and influencing factors
Authors: Fang Nan , Luo Yuqin , Jiang Jinhua , Lu Zhou , Hou Zhiguang , Zhao Xueping , Wang Xiangyun , Tang Tao , Zhang Changpeng , Lu Zhongbin
Published: November 2022

The new pesticide flupyradifurone is highly mobile in soil and poses a potential risk to water environments.
Removal of Cl(−I) from acidic industrial wastewater through oxidation: a review on methods and mechanisms
Authors: Dou Wenyue , Hu Xingyun , Kong Linghao , Yu Ying , Yang Yuhang , Lu Linfeng
Published: November 2022

The oxidation approaches for Cl(−I) removal from acidic industrial wastewater, classified as electrolysis, ultraviolet-induced and strong-oxidant-dominated methods according to the mechanisms, are reviewed in this article.
Nebulization assisted molecular LIBS for sensitive and fast fluorine determination in aqueous solutions
Authors: Méndez-López Cristina , Fernández-Menéndez Luis Javier , González-Gago Cristina , Pisonero Jorge , Bordel Nerea
Published: November 2022

In this work, an analytical methodology based on nebulization-assisted laser-induced breakdown spectroscopy for the analysis of fluorine in aqueous solutions via CaF molecular emission was developed and successfully tested with real mouthwash samples.
Enabling water-free PEDOT as hole selective layer in lead-free tin perovskite solar cells
Authors: Di Girolamo Diego , Aktas Ece , Ponti Corinna , Pascual Jorge , Li Guixiang , Li Meng , Nasti Giuseppe , Alharthi Fahad , Mura Francesco , Abate Antonio
Published: November 2022

A thin layer of Al2O3nanoparticles has been deposited on top of a water-free PEDOT layer to modify wettability for obtaining pinhole-free homogenous tin-based perovskite films, resulting in better device performance.
A review on 2D-ZnO nanostructure based biosensors: from materials to devices
Authors: Krishna M. Sankush , Singh Sangeeta , Batool Maria , Fahmy Heba Mohamed , Seku Kondaiah , Shalan Ahmed Esmail , Lanceros-Mendez Senentxu , Zafar Muhammad Nadeem
Published: November 2022

2D ZnO nanostructure-based biosensors: synthesis, classification, types and applications.
Recent advances in strongly resonant and gradient all-dielectric metasurfaces
Authors: Zografopoulos Dimitrios C. , Tsilipakos Odysseas
Published: November 2022

We provide a critical overview of recent advances in all-dielectric, strongly resonant and gradient metasurfaces, as their performance is pushed to the extreme in view of emerging flat-optics applications.
Solvothermal synthesis of soluble, surface modified anatase and transition metal doped anatase hybrid nanocrystals
Authors: Bathe A. S. , Sanz Arjona A. , Regan A. , Wallace C. , Nerney C. R. , O'Donoghue N. , Crosland J. M. , Simonian T. , Walton R. I. , Dunne P. W.
Published: November 2022

Solvothermal treatment of amorphous titania in trifluoroacetic acid modifies the surface and crystallises the anatase phase, yielding dispersible hybrid nanocrystals.
Effect of the water coverage on the interaction of O2and H2with the Na-LTA zeolite by first-principles simulations
Authors: Randrianandraina Joharimanitra , Badawi Michael , Ramseyer Christophe , Cardey Bruno , Groetz Jean-Emmanuel , Perreau Noah , Torrealba-Anzola Freddy , Chambelland Caroline , Ducret Didier , Grivet Manuel
Published: November 2022

The very wide applications of LTA zeolites,e.g., tritiated water storage, imply that a precise atomic-scale description of the adsorption processes taking place in their structure is crucial.
Copper halide mediated synthesis of mesoionic 6-halo-[1,2,3]triazolo[5,1-a]isoquinoliums: further transformation to polyheterocycles
Authors: Wu Yangang , Zhang Wen , Pan Xiaolong , Song Chuanjun , Chang Junbiao
Published: November 2022

Mesoionic 6-halo-[1,2,3]triazo[5,1-a]isoquinoliums were synthesized via copper halide mediated concomitant C–N, C–O and C–X bond formation.
Enantioselective sulfonylation using sodium hydrogen sulfite, 4-substituted Hantzsch esters and 1-(arylethynyl)naphthalen-2-ols
Authors: Wang Xinhua , Ding Qiuping , Yang Chenxi , Yang Jianguo , Wu Jie
Published: November 2022

Synthesis of sulfonyl-containing axially chiral styrenes through a catalytic asymmetric reaction of 4-substituted Hantzsch esters, sodium hydrogen sulfite and 1-(arylethynyl)naphthalen-2-ols is reported.
Controlled release of nitric oxide for enhanced tumor drug delivery and reduction of thrombosis risk
Authors: Liu Rui , Xu Baofeng , Ma Zhifang , Ye Hongbo , Guan Xinghua , Ke Yue , Xiang Zehong , Shi Qiang
Published: November 2022

Antiplatelet nanoparticles co-loaded with l-arginine (LA) and photosensitizer IR783 were established for local NO release to inhibit tumor-associated platelets activation, suppress thrombosis and increase tumoral accumulation of the nanoagent.
Quantum-dot sensitized hierarchical NiO p–n heterojunction for effective photocatalytic performance
Authors: Khan Junaid , Ali Gohar , Samreen Ayesha , Ahmad Shahbaz , Ahmad Sarfraz , Egilmez Mehmet , Amin Sadiq , Khan Nadia
Published: November 2022

A facile and low-cost pseudo successive ionic layer adsorption and reaction technique was used to deposit cadmium sulfide quantum dots (CdS QDs) on hierarchical nanoflower NiO to form effective and intimate NiO/CdS, p–n heterojunctions.