bluuebunny/crossref_metadata_2025 huggingface dataset:
Evidence of a sudden increase in the nuclear size of proton-rich silver-96
Authors: Reponen M. , de Groote R. P. , Al Ayoubi L. , Beliuskina O. , Bissell M. L. , Campbell P. , Cañete L. , Cheal B. , Chrysalidis K. , Delafosse C. , de Roubin A. , Devlin C. S. , Eronen T. , Garcia Ruiz R. F. , Geldhof S. , Gins W. , Hukkanen M. , Imgram P. , Kankainen A. , Kortelainen M. , Koszorús Á. , Kujanpää S. , Mathieson R. , Nesterenko D. A. , Pohjalainen I. , Vilén M. , Zadvornaya A. , Moore I. D.
Published: July 2021

Understanding the evolution of the nuclear charge radius is one of the long-standing challenges for nuclear theory. Recently, density functional theory calculations utilizing Fayans functionals have successfully reproduced the charge radii of a variety of exotic isotopes. However, difficulties in the isotope production have hindered testing these models in the immediate region of the nuclear chart below the heaviest self-conjugate doubly-magic nucleus 100Sn, where the near-equal number of protons (Z) and neutrons (N) lead to enhanced neutron-proton pairing. Here, we present an optical excursion into this region by crossing the N = 50 magic neutron number in the silver isotopic chain with the measurement of the charge radius of 96Ag (N = 49). The results provide a challenge for nuclear theory: calculations are unable to reproduce the pronounced discontinuity in the charge radii as one moves below N = 50. The technical advancements in this work open the N = Z region below 100Sn for further optical studies, which will lead to more comprehensive input for nuclear theory development.
Possible poriferan body fossils in early Neoproterozoic microbial reefs
Authors: Turner Elizabeth C.
Published: July 2021

Molecular phylogeny indicates that metazoans (animals) emerged early in the Neoproterozoic era1, but physical evidence is lacking. The search for animal fossils from the Proterozoic eon is hampered by uncertainty about what physical characteristics to expect. Sponges are the most basic known animal type2,3; it is possible that body fossils of hitherto-undiscovered Proterozoic metazoans might resemble aspect(s) of Phanerozoic fossil sponges. Vermiform microstructure4,5, a complex petrographic feature in Phanerozoic reefal and microbial carbonates, is now known to be the body fossil of nonspicular keratosan demosponges6–10. This Article presents petrographically identical vermiform microstructure from approximately 890-million-year-old reefs. The millimetric-to-centimetric vermiform-microstructured organism lived only on, in and immediately beside reefs built by calcifying cyanobacteria (photosynthesizers), and occupied microniches in which these calcimicrobes could not live. If vermiform microstructure is in fact the fossilized tissue of keratose sponges, the material described here would represent the oldest body-fossil evidence of animals known to date, and would provide the first physical evidence that animals emerged before the Neoproterozoic oxygenation event and survived through the glacial episodes of the Cryogenian period.
Towards real-time PGS range monitoring in proton therapy of prostate cancer
Authors: Magalhaes Martins Paulo , Freitas Hugo , Tessonnier Thomas , Ackermann Benjamin , Brons Stephan , Seco Joao
Published: July 2021

Proton therapy of prostate cancer (PCPT) was linked with increased levels of gastrointestinal toxicity in its early use compared to intensity-modulated radiation therapy (IMRT). The higher radiation dose to the rectum by proton beams is mainly due to anatomical variations. Here, we demonstrate an approach to monitor rectal radiation exposure in PCPT based on prompt gamma spectroscopy (PGS). Endorectal balloons (ERBs) are used to stabilize prostate movement during radiotherapy. These ERBs are usually filled with water. However, other water solutions containing elements with higher atomic numbers, such as silicon, may enable the use of PGS to monitor the radiation exposure of the rectum. Protons hitting silicon atoms emit prompt gamma rays with a specific energy of 1.78 MeV, which can be used to monitor whether the ERB is being hit. In a binary approach, we search the silicon energy peaks for every irradiated prostate region. We demonstrate this technique for both single-spot irradiation and real treatment plans. Real-time feedback based on the ERB being hit column-wise is feasible and would allow clinicians to decide whether to adapt or continue treatment. This technique may be extended to other cancer types and organs at risk, such as the oesophagus.
Sphingosine-1-phosphate modulates PAR1-mediated human platelet activation in a concentration-dependent biphasic manner
Authors: Liu Haonan , Jackson Molly L. , Goudswaard Lucy J. , Moore Samantha F. , Hutchinson James L. , Hers Ingeborg
Published: July 2021

Sphingosine 1-phosphate (S1P) is a bioactive signalling sphingolipid that is increased in diseases such as obesity and diabetes. S1P can modulate platelet function, however the direction of effect and S1P receptors (S1PRs) involved are controversial. Here we describe the role of S1P in regulating human platelet function and identify the receptor subtypes responsible for S1P priming. Human platelets were treated with protease-activated receptor 1 (PAR-1)-activating peptide in the presence or absence of S1P, S1PR agonists or antagonists, and sphingosine kinases inhibitors. S1P alone did not induce platelet aggregation but at low concentrations S1P enhanced PAR1-mediated platelet responses, whereas PAR1 responses were inhibited by high concentrations of S1P. This biphasic effect was mimicked by pan-S1PR agonists. Specific agonists revealed that S1PR1 receptor activation has a positive priming effect, S1PR2 and S1PR3 have no effect on platelet function, whereas S1PR4 and S1PR5 receptor activation have an inhibitory effect on PAR-1 mediated platelet function. Although platelets express both sphingosine kinase 1/2, enzymes which phosphorylate sphingosine to produce S1P, only dual and SphK2 inhibition reduced platelet function. These results support a role for SphK2-mediated S1P generation in concentration-dependent positive and negative priming of platelet function, through S1PR1 and S1PR4/5 receptors, respectively.
Mangroves and coastal topography create economic “safe havens” from tropical storms
Authors: Hochard Jacob P. , Barbier Edward B. , Hamilton Stuart E.
Published: July 2021

Evidence suggests that mangroves protect economic activity in coastal areas. We estimate this protection from mangroves and coastal elevation globally, examining both “direct” and “indirect” exposure events (< 100 km vs. ≥ 100 km distance from a cyclone’s “eye”, respectively). We find that higher elevation (≥ 50 m) or wide mangroves (≥ 10 m seaward width) alone shelter economic activity from indirect cyclone exposure, whereas protection from direct cyclone exposure occurs only in high elevation communities with wide mangroves. Our results reveal that the majority of these “safe havens” are in upper middle-income countries but provide significant benefits to populations in lower middle-income countries.
A deterministic genotyping workflow reduces waste of transgenic individuals by two-thirds
Authors: Strobl Frederic , Stelzer Ernst H. K.
Published: July 2021

We present a deterministic workflow for genotyping single and double transgenic individuals directly upon nascence that prevents overproduction and reduces wasted animals by two-thirds. In our vector concepts, transgenes are accompanied by two of four clearly distinguishable transformation markers that are embedded in interweaved, but incompatible Lox site pairs. Following Cre-mediated recombination, the genotypes of single and double transgenic individuals were successfully identified by specific marker combinations in 461 scorings.
Demonstration of central conduction time and neuroplastic changes after cervical lordosis rehabilitation in asymptomatic subjects: a randomized, placebo-controlled trial
Authors: Moustafa Ibrahim M. , Diab Aliaa A. , Hegazy Fatma , Harrison Deed E.
Published: July 2021

A randomized controlled study was conducted to evaluate the effect of rehabilitation of the cervical sagittal configuration on sensorimotor integration and central conduction time in an asymptomatic population. Eighty (32 female) participants with radiographic cervical hypolordosis and anterior head translation posture were randomly assigned to either a control or an experimental group. The experimental group received the Denneroll cervical traction while the control group received a placebo treatment. Interventions were applied 3 × per week for 10 weeks. Outcome measures included radiographic measured anterior head translation distance, cervical lordosis (posterior bodies of C2–C7), central somatosensory conduction time (latency) (N13–N20), and amplitudes of potentials for spinal N13, brainstem P14, parietal N20 and P27, and frontal N30. Outcomes were obtained at: baseline, after 10 weeks of intervention, and at 3 months follow up. After 10 weeks and 3-months, between-group analyses revealed statistically significant differences between the groups for the following measured variables: lordosis C2–C7, anterior head translation, amplitudes of spinal N13, brainstem P14, parietal N20 and P27, frontal N30 potentials (P < 0.001), and conduction time N13–N20 (P = 0.004). Significant correlation between the sagittal alignment and measured variables were found (P < 0.005). These findings indicate restoration of cervical sagittal alignment has a direct influence on the central conduction time in an asymptomatic population.
Non-random associations in group housed rats (Rattus norvegicus)
Authors: Proops Leanne , Troisi Camille A. , Kleinhappel Tanja K. , Romero Teresa
Published: July 2021

Ecological factors, such as predation, have traditionally been used to explain sociability. However, it is increasingly recognised that individuals within a group do not associate randomly, and that these non-random associations can generate fitness advantages. The majority of the empirical evidence on differentiated associations in group-living mammals, however, comes from a limited number of taxa and we still know very little about their occurrence and characteristics in some highly social species, such as rats (Rattus spp.). Here, using network analysis, we quantified association patterns in four groups of male fancy rats. We found that the associations between rats were not randomly distributed and that most individuals had significantly more preferred/avoided associates than expected by random. We also found that these preferences can be stable over time, and that they were not influenced by individuals’ rank position in the dominance hierarchy. Our findings are consistent with work in other mammals, but contrast with the limited evidence available for other rat strains. While further studies in groups with different demographic composition are warranted to confirm our findings, the occurrence of differentiated associations in all male groups of rats have important implications for the management and welfare of captive rat populations.
A global assessment of surveillance methods for dominant malaria vectors
Authors: van de Straat Bram , Russell Tanya L. , Staunton Kyran M. , Sinka Marianne E. , Burkot Thomas R.
Published: July 2021

The epidemiology of human malaria differs considerably between and within geographic regions due, in part, to variability in mosquito species behaviours. Recently, the WHO emphasised stratifying interventions using local surveillance data to reduce malaria. The usefulness of vector surveillance is entirely dependent on the biases inherent in the sampling methods deployed to monitor mosquito populations. To understand and interpret mosquito surveillance data, the frequency of use of malaria vector collection methods was analysed from a georeferenced vector dataset (> 10,000 data records), extracted from 875 manuscripts across Africa, the Americas and the Asia-Pacific region. Commonly deployed mosquito collection methods tend to target anticipated vector behaviours in a region to maximise sample size (and by default, ignoring other behaviours). Mosquito collection methods targeting both host-seeking and resting behaviours were seldomly deployed concurrently at the same site. A balanced sampling design using multiple methods would improve the understanding of the range of vector behaviours, leading to improved surveillance and more effective vector control.
Practical geospatial and sociodemographic predictors of human mobility
Authors: Ruktanonchai Corrine W. , Lai Shengjie , Utazi Chigozie E. , Cunningham Alex D. , Koper Patrycja , Rogers Grant E. , Ruktanonchai Nick W. , Sadilek Adam , Woods Dorothea , Tatem Andrew J. , Steele Jessica E. , Sorichetta Alessandro
Published: July 2021

Understanding seasonal human mobility at subnational scales has important implications across sciences, from urban planning efforts to disease modelling and control. Assessing how, when, and where populations move over the course of the year, however, requires spatially and temporally resolved datasets spanning large periods of time, which can be rare, contain sensitive information, or may be proprietary. Here, we aim to explore how a set of broadly available covariates can describe typical seasonal subnational mobility in Kenya pre-COVID-19, therefore enabling better modelling of seasonal mobility across low- and middle-income country (LMIC) settings in non-pandemic settings. To do this, we used the Google Aggregated Mobility Research Dataset, containing anonymized mobility flows aggregated over users who have turned on the Location History setting, which is off by default. We combined this with socioeconomic and geospatial covariates from 2018 to 2019 to quantify seasonal changes in domestic and international mobility patterns across years. We undertook a spatiotemporal analysis within a Bayesian framework to identify relevant geospatial and socioeconomic covariates explaining human movement patterns, while accounting for spatial and temporal autocorrelations. Typical pre-pandemic mobility patterns in Kenya mostly consisted of shorter, within-county trips, followed by longer domestic travel between counties and international travel, which is important in establishing how mobility patterns changed post-pandemic. Mobility peaked in August and December, closely corresponding to school holiday seasons, which was found to be an important predictor in our model. We further found that socioeconomic variables including urbanicity, poverty, and female education strongly explained mobility patterns, in addition to geospatial covariates such as accessibility to major population centres and temperature. These findings derived from novel data sources elucidate broad spatiotemporal patterns of how populations move within and beyond Kenya, and can be easily generalized to other LMIC settings before the COVID-19 pandemic. Understanding such pre-pandemic mobility patterns provides a crucial baseline to interpret both how these patterns have changed as a result of the pandemic, as well as whether human mobility patterns have been permanently altered once the pandemic subsides. Our findings outline key correlates of mobility using broadly available covariates, alleviating the data bottlenecks of highly sensitive and proprietary mobile phone datasets, which many researchers do not have access to. These results further provide novel insight on monitoring mobility proxies in the context of disease surveillance and control efforts through LMIC settings.
Variance-resistant PTB7 and axially-substituted silicon phthalocyanines as active materials for high-Voc organic photovoltaics
Authors: Vebber Mario C. , Rice Nicole A. , Brusso Jaclyn L. , Lessard Benoît H.
Published: July 2021

While the efficiency of organic photovoltaics (OPVs) has improved drastically in the past decade, such devices rely on exorbitantly expensive materials that are unfeasible for commercial applications. Moreover, examples of high voltage single-junction devices, which are necessary for several applications, particularly low-power electronics and rechargeable batteries, are lacking in literature. Alternatively, silicon phthalocyanines (R2-SiPc) are inexpensive, industrially scalable organic semiconductors, having a minimal synthetic complexity (SC) index, and are capable of producing high voltages when used as acceptors in OPVs. In the present work, we have developed high voltage OPVs composed of poly({4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl] thieno [3,4 b]thiophenediyl}) (PTB7) and an SiPc derivative ((3BS)2-SiPc). While changes to the solvent system had a strong effect on performance, interestingly, the PTB7:(3BS)2-SiPc active layer were robust to spin speed, annealing and components ratio. This invariance is a desirable characteristic for industrial production. All PTB7:(3BS)2-SiPc devices produced high open circuit voltages between 1.0 and 1.07 V, while maintaining 80% of the overall efficiency, when compared to their fullerene-based counterpart.
Cardiorespiratory fitness assessment using risk-stratified exercise testing and dose–response relationships with disease outcomes
Authors: Gonzales Tomas I. , Westgate Kate , Strain Tessa , Hollidge Stefanie , Jeon Justin , Christensen Dirk L. , Jensen Jorgen , Wareham Nicholas J. , Brage Søren
Published: July 2021

Cardiorespiratory fitness (CRF) is associated with mortality and cardiovascular disease, but assessing CRF in the population is challenging. Here we develop and validate a novel framework to estimate CRF (as maximal oxygen consumption, VO2max) from heart rate response to low-risk personalised exercise tests. We apply the method to examine associations between CRF and health outcomes in the UK Biobank study, one of the world’s largest and most inclusive studies of CRF, showing that risk of all-cause mortality is 8% lower (95%CI 5–11%, 2670 deaths among 79,981 participants) and cardiovascular mortality is 9% lower (95%CI 4–14%, 854 deaths) per 1-metabolic equivalent difference in CRF. Associations obtained with the novel validated CRF estimation method are stronger than those obtained using previous methodology, suggesting previous methods may have underestimated the importance of fitness for human health.
Genomic characterization of sporadic isolates of the dominant clone of Mycobacterium abscessus subspecies massiliense
Authors: Davidson Rebecca M. , Benoit Jeanne B. , Kammlade Sara M. , Hasan Nabeeh A. , Epperson L. Elaine , Smith Terry , Vasireddy Sruthi , Brown-Elliott Barbara A. , Nick Jerry A. , Olivier Kenneth N. , Zelazny Adrian M. , Daley Charles L. , Strong Michael , Wallace Richard J.
Published: July 2021

Recent studies have characterized a dominant clone (Clone 1) of Mycobacterium abscessus subspecies massiliense (M. massiliense) associated with high prevalence in cystic fibrosis (CF) patients, pulmonary outbreaks in the United States (US) and United Kingdom (UK), and a Brazilian epidemic of skin infections. The prevalence of Clone 1 in non-CF patients in the US and the relationship of sporadic US isolates to outbreak clones are not known. We surveyed a reference US Mycobacteria Laboratory and a US biorepository of CF-associated Mycobacteria isolates for Clone 1. We then compared genomic variation and antimicrobial resistance (AMR) mutations between sporadic non-CF, CF, and outbreak Clone 1 isolates. Among reference lab samples, 57/147 (39%) of patients with M. massiliense had Clone 1, including pulmonary and extrapulmonary infections, compared to 11/64 (17%) in the CF isolate biorepository. Core and pan genome analyses revealed that outbreak isolates had similar numbers of single nucleotide polymorphisms (SNPs) and accessory genes as sporadic US Clone 1 isolates. However, pulmonary outbreak isolates were more likely to have AMR mutations compared to sporadic isolates. Clone 1 isolates are present among non-CF and CF patients across the US, but additional studies will be needed to resolve potential routes of transmission and spread.
Increased sugar-sweetened beverage use tendency in pregnancy positively associates with peripartum Edinburgh postpartum depression scores
Authors: Ker Chin-Ru , Wu Chen-Hsuan , Lee Chien-Hung , Wang Shih-Han , Chan Te-Fu
Published: July 2021

The association among sugar sweetened beverages (SSB) consumption, addiction and depression in adults, children and adolescents is widely reported. Dieting patterns during pregnancy is complicated by maternal fetal concerns. Specifically, restrained use of SSB might be potentially a source of perinatal distress. The current study modified diagnostic criteria for Substance Use Disorder (SUD) in Diagnostic and Statistical Manual of Mental Disorders, Fifth Edition (DSM-5), into SSB-specific questions to assess SSB use tendency. Edinburgh Postpartum Depression Scores (EPDS) is used to assess maternal distress during pregnancy. One hundred and ninety-six consecutive pregnant women receiving antenatal care at Kaohsiung Medical University Hospital were invited to participate in this study. In the first trimester, 46.6% of women had none or 1 DSM-5 symptom, 27.0% had 2–3 symptoms, while 26.4% had ≥ 4 symptoms. The mean numbers of DSM-5 symptoms in each trimester were found to be 2.5 ± 2.25, 2.6 ± 2.45, 2.4 ± 2.43 for the first, second and third trimester, respectively, p = 0.750. While EPDS score showed no difference among DSM-5 symptoms 0–1, 2–3 and ≥ 4 groups in the first trimester (8.1 ± 4.59, 8.4 ± 5.00, 8.8 ± 4.82, p = 0.343), women with ≥ 4 DSM-symptoms was found significantly higher EPDS scores than those with < 4 DSM-symptoms in the second (7.2 ± 4.81, 7.7 ± 4.98, 8.8 ± 4.33, p = 0.030) and third trimester (6.8 ± 5.00, 7.2 ± 4.63, 8.7 ± 5.24, p = 0.019). The relationship remained significant after adjusting for covariates including actual SSB amount consumed (adjusted β = 0.25 with 95% confident interval (CI) 0.04–0.45 and 0.21 with 95% CI 0.04–0.38 for the second and third trimesters, respectively). Overall, the study is the first to characterize the positive relationship between SSB use tendency and antenatal distress in pregnancy, independent of actual SSB amount consumed. The observational nature of the study design precludes inferences of its underlying socio-psychomotor mechanisms, although restrained SSB use in pregnancy is suspected to contribute. The novel employment of modified SSB-specific DSM-5 scores and EPDS in this setting is feasible and further validation is promising. With better understanding and awareness, pregnant women with increased SSB use tendency should be properly counseled with special attention to their mental state.
Detecting suicidal risk using MMPI-2 based on machine learning algorithm
Authors: Kim Sunhae , Lee Hye-Kyung , Lee Kounseok
Published: July 2021

Minnesota Multiphasic Personality Inventory-2 (MMPI-2) is a widely used tool for early detection of psychological maladjustment and assessing the level of adaptation for a large group in clinical settings, schools, and corporations. This study aims to evaluate the utility of MMPI-2 in assessing suicidal risk using the results of MMPI-2 and suicidal risk evaluation. A total of 7,824 datasets collected from college students were analyzed. The MMPI-2-Resturcutred Clinical Scales (MMPI-2-RF) and the response results for each question of the Mini International Neuropsychiatric Interview (MINI) suicidality module were used. For statistical analysis, random forest and K-Nearest Neighbors (KNN) techniques were used with suicidal ideation and suicide attempt as dependent variables and 50 MMPI-2 scale scores as predictors. On applying the random forest method to suicidal ideation and suicidal attempts, the accuracy was 92.9% and 95%, respectively, and the Area Under the Curves (AUCs) were 0.844 and 0.851, respectively. When the KNN method was applied, the accuracy was 91.6% and 94.7%, respectively, and the AUCs were 0.722 and 0.639, respectively. The study confirmed that machine learning using MMPI-2 for a large group provides reliable accuracy in classifying and predicting the subject's suicidal ideation and past suicidal attempts.
Subjective assessment reported by patients shows differences between single-bundle and double-bundle anterior cruciate ligament reconstruction, systematic review and meta-analysis
Authors: Maestro Antonio , Herruzo Irene , Varillas-Delgado David , Martín-Saborido Carlos
Published: July 2021

To determine the functional recovery, active reincorporation, and anteroposterior and rotational stability of patients undergoing anterior cruciate ligament (ACL) reconstruction using arthroscopy techniques with simple-bundle (SB) or double-bundle (DB). The following databases were searched: PubMed, Embase (Elsevier platform), the Cochrane Central Register of Controlled Trials (Wiley platform), Web of Science, and CINAHL. Level I and II studies involving anterior cruciate ligament arthroscopy were included in the search. Records were screened by title and abstract and assessed the risk of bias of selected studies. Meta-analyses using RevMan 5.3 software were conducted on the following outcomes: knee functionality, objective measurements of knee stability, rotational knee stability and knee anterior stability, sports reincorporation, and subjective assessments. Twenty-four studies of patients undergoing ACL reconstruction were included in the qualitative and quantitative synthesis (1707 patients) for Lysholm score, Subjective International Knee Documentation Committee (IKDC) score, Tegner score, KT-1000/2000, Lachman test, Objective IKDC score, and Pivot-Shift test. A return to pre-injury level showed a significant decrease in the Lysholm score (mean difference, − 0.99; 95% CI − 1.71 to − 0.40; P = 0.007) and Tegner score (mean difference, − 0.07; 95% CI, − 0.13 to − 0.01; P = 0.02) at DB reconstruction, similar to the knee functionality outcome of the subjective IKDC score (mean difference − 1.42; 95% CI − 2.46 to − 0.38; P = 0.007). There is no clear or significant difference in clinical stability and knee function or in sports incorporation with the true difference occurring in the subjective assessment.
Efficient quantum gates and algorithms in an engineered optical lattice
Authors: Homid A. H. , Abdel-Aty M. , Qasymeh M. , Eleuch H.
Published: July 2021

In this work, trapped ultracold atoms are proposed as a platform for efficient quantum gate circuits and algorithms. We also develop and evaluate quantum algorithms, including those for the Simon problem and the black-box string-finding problem. Our analytical model describes an open system with non-Hermitian Hamiltonian. It is shown that our proposed scheme offers better performance (in terms of the number of required gates and the processing time) for realizing the quantum gates and algorithms compared to previously reported approaches.
High frequency and long persistency of ballooning hepatocyte were associated with glucose intolerance in patients with severe obesity
Authors: Kakisaka Keisuke , Sasaki Akira , Umemura Akira , Nikai Haruka , Suzuki Yuji , Nishiya Masao , Sugai Tamotsu , Nitta Hiroyuki , Takikawa Yasuhiro
Published: July 2021

Nonalcoholic steatohepatitis (NASH) and glucose intolerance are associated with an increased risk of mortality in patients with severe obesity; however, whether histological findings of the liver are related to glucose intolerance in these patients remain unknown. Sixty-nine consecutive patients who underwent metabolic surgery between June 2008 and February 2020 were included; histological findings of the liver and laboratory data were analyzed. Twenty patients with biopsy-proven NASH were chronologically evaluated using sequential biopsies; data before metabolic surgery was considered as the baseline. Glucose intolerance—demonstrated by an increased area under the curve (AUC) for blood sugar (BS) during the 75-g oral glucose tolerance test—and increased homeostatic model assessment for insulin resistance (HOMA-IR) correlated with the grade of hepatocyte ballooning in patients. Patients with persistent ballooning at the follow-up biopsy had a higher HOMA-IR, high AUC for BS, and lower adiponectin level than those in patients in whom ballooning was eliminated, while there was no significant difference in body weight. We concluded that glucose intolerance was associated with the grade of hepatocyte ballooning; additionally, persistent hepatocyte ballooning sustained glucose intolerance, while elimination of hepatocyte ballooning improved the condition. Glucose intolerance may, thus, mediate balloon formation of the hepatocyte.
Variation features of unfrozen water content of water-saturated coal under low freezing temperature
Authors: Li Bo , Huang Laisheng , Lv Xiaoquan , Ren Yongjie
Published: July 2021

To determine the unfrozen water content variation characteristics of coal from the low temperature freezing based on the good linear relationship between the amplitude of the nuclear magnetic resonance (NMR) signal and movable water, pulsed NMR technology was used to test water-saturated coal samples and analyze the relationship between the unfrozen water content, the temperature and pore pressure during freeze–thaw from a microscopic perspective. Experimental results show that the swelling stress of the ice destroys the original pore structure during the freezing process, causing the melting point of the pore ice to change, so the unfrozen water content during the melting process presents a hysteresis phenomenon. When phase equilibrium has been established in the freezing process, the unfrozen water is mainly the film water on the pore surface and pore water in pores with pore radius below 10 nm. At this time, the freezing point of the water in the system decreases exponentially as the temperature increases. The micropores of the coal samples from the Jiulishan Coalmine are well-developed, and the macropores and fractures are relatively small, with most pores having a pore radius between 0.1 and 10 nm. The pore water freezing point gradually decreases with the pore radius. When the pore radius decreases to 10 nm, the freezing point of pore water starts to decrease sharply with the decreasing pore radius. When the pore radius reaches 1.54 nm, the pore water freezing point changes as fast as 600 ℃/nm.
Characterization of humic acids from original coal and its oxidization production
Authors: Yan Shuangdui , Zhang Naiyu , Li Juan , Wang Yanan , Liu Yue , Cao Mengyao , Yan Qiuyan
Published: July 2021

Five coal samples obtained from Chinese coal-producing areas were oxidized by hydrogen peroxide (H2O2), and humic acids (HAs) were derived from original coal and its oxidizition samples. HAs were characterized by physical and chemical methods, between which was also comparison. Yield, ash, aromaticity, molecular weight and functional group of HAs showed variance between original coals. While, yield, molecular weight, and the quantity of oxygen-containing groups of HAs increased more from coals oxidized with H2O2. However, the increase of oxygen-containing functional groups depended on original coals. For Yimin lignite, the oxidation of H2O2 could obviously improve the carboxyl group content of HAs, thus promoting the adsorption of nitrogen. This study demonstrated that oxidation of coal by using H2O2 was one pretreatment way to obtain and modify HAs which could be used as prerequisite and functional material in agricultural field.
Preference criteria for regorafenib in treating refractory metastatic colorectal cancer are the small tumor burden, slow growth and poor/scanty spread
Authors: Hsu Hung-Chih , Huang Kuo-Cheng , Chen Wei-Shone , Jiang Jeng-Kai , Yang Shung-Haur , Wang Huann-Sheng , Chang Shih-Ching , Lan Yuan-Tzu , Lin Chun-Chi , Lin Hung-Hsin , Huang Sheng-Chieh , Cheng Hou-Hsuan , Yang Tsai-Sheng , Chen Chien-Chih , Chao Yee , Teng Hao-Wei
Published: July 2021

Given the unclear preference criteria for regorafenib in treating refractory metastatic colorectal cancer (mCRC), this study aimed to construct an algorithm in selecting right patients for regorafenib. This was a multicenter retrospective cohort study. Patients with pathology confirmed mCRC and administered with regorafenib for > 3 weeks were enrolled. Patients with good response were defined to have progression-free survival (PFS) of ≥ 4 months. The Kaplan–Meier plot was used to analyze survival. A Cox proportional hazards model was used to analyze univariate and multivariate prognostic factors and was visualized using forest plot. A clustering heatmap was used to classify patients according to responses. The decision tree and nomogram were used to construct the approaching algorithm. A total of 613 patients was analyzed. The median PFS and overall survival (OS) were 2.7 and 10.6 months, respectively. The partial response and stable disease rate are 2.4% and 36.4%. The interval between metastasis (M1) and regorafenib, metastatic status (number, liver, and brain), and CEA level were independent prognostics factors of PFS that classifies patients into three groups: good, bad and modest-1/modest-2 group with PFS >  = 4 months rates of 51%, 20%, 39% and 30%, respectively. Results were used to develop the decision tree and nomogram for approaching patients indicated with regorafenib. The preference criteria for regorafenib in treating patients with refractory mCRC are small tumor burden (CEA), slow growth (interval between metastasis and regorafenib) and poor/scanty spread (metastatic status: number and sites of metastasis): The 3S rules.

TRIAL registration ClinicalTrials.gov Identifier: NCT03829852; Date of first registration (February 11, 2019).
Periodic limb movements in patients with obstructive sleep apnea syndrome
Authors: Zhou Xiaobo , Zhou Bo , Li Zhe , Lu Qiao , Li Shaoping , Pu Zhongyin , Luo Fang
Published: July 2021

The aim of the study was to assess the factors associated with periodic limb movements during sleep (PLMS) among obstructive sleep apnea syndrome (OSAS) patients and identify the role of PLMS in patients with OSAS. 303 adult patients with OSAS were included in the study. All patients completed physical examination, Epworth sleepiness scale (ESS), and polysomnography. Diagnosis of PLMS was made if the periodic leg movements index (PLMI) was ≥ 15. Chi-square test, ANOVA, univariate and multivariate logistic regression analyses were conducted to identify factors associated with PLMS among OSAS patients. Statistical analyses were performed with SPSS 26.0 for mac. Statistically significant difference was considered if P value < 0 .05. Among the 303 adult patients with OSAS, 98 patients had significant PLMS and the other 205 had no significant PLMS. Compared with OSAS patients without PLMS, OSAS patient with PLMS were older, had shorter REM duration and greater apnea–hypopnea index (AHI) (P < 0.05). The study suggests that PLMS is a matter of concern among patients with OSAS. A better understanding of the role of PLMS among OSAS patients could be useful in better recognition, intervention and treatment of OSAS.
A simple strategy to enhance the sensitivity of fluorescent sensor-based CdS quantum dots by using a surfactant for Hg2+ detection
Authors: Sianglam Pradthana , Ngamdee Kessarin , Nalaoh Phattananawee , Promarak Vinich , Hunt Andrew J. , Ngeontae Wittaya
Published: July 2021

A simple strategy to enhance the detection sensitivity of fluorescent sensor-based CdS quantum dots (CdS QDs) by surfactant for the detection of mercury ions (Hg2+).
A ratiometric triazine-based colorimetric and fluorometric sensor for the recognition of Zn2+ ions and its application in human lung cancer cells
Authors: Mandal Moumi , Sain Dibyendu , Islam Md. Majharul , Banik Dipanjan , Periyasamy Muthaimanoj , Mandal Sukhendu , Mahapatra Ajit Kumar , Kar Arik
Published: July 2021

2,4,6-Triamino-1,3,5-triazine-based ratiometric fluorescent probes (R1 and R2) selectively sense three Zn2+ ions in three different binding sites. The probe R1 has also been employed for the detection of human lung cancer cell line (A549).
Exploiting the role of nanoparticles for use in hydrogel-based bioprinting applications: concept, design, and recent advances
Authors: Chakraborty Aishik , Roy Avinava , Ravi Shruthi Polla , Paul Arghya
Published: July 2021

The illustration highlights the different functionalities of bioinks brought on by nanoparticles. Alongside, the figure also displays some of the applications of these nanoengineered bioinks.
Proton transport mechanism and pathways in the superprotonic phase of M3H(AO4)2 solid acids from ab initio molecular dynamics simulations
Authors: Merinov Boris V. , Morozov Sergey I.
Published: July 2021

The detailed proton transport mechanism and pathways in the Cs3H(SeO4)2 superprotonic phase were determined from ab initio molecular dynamics.
QM/MM study of the reactivity of zeolite bound methoxy and carbene groups
Authors: Nastase Stefan A. F. , Logsdail Andrew J. , Catlow C. Richard A.
Published: July 2021

The conversion of methanol-to-hydrocarbons (MTH) is known to occur via an autocatalytic process in zeolites, where framework-bound methoxy species convert to different types of hydrocarbons, but the exact reaction routes leading to the first C–C bond remain elusive.
On the structure–property relationships of (Al, Ga, In)-doped spinel cobalt ferrite compounds: a combined experimental and DFT study
Authors: Naveed-Ul-Haq M. , Hussain Shahzad , Webers Samira , Salamon Soma , Ahmad Ibtisam , Bibi Tayyaba , Hameed Amna , Wende Heiko
Published: July 2021

A combined experimental and theoretical study to determine how the replacement of magnetic ions with diamagnetic ones in CoFe2O4 i.e., CoFe1.5X0.5O4 (X = Al, Ga, In) affects the structure, electronic, and magnetic properties.
NH2-MIL-125(Ti) with transient metal centers via novel electron transfer routes for enhancing photocatalytic NO removal and H2 evolution
Authors: Li Houfan , Liu Xingyan , Feng Huan , Zhao Jia , Lu Peng , Fu Min , Guo Weiwei , Zhao Yi , He Youzhou
Published: July 2021

The transient YbII/III center coordinated with –NH2 of NH2-MIL-125(Ti) to form a ligand metal charge transfer (LLCMT) pathway, which promoted the rapid transfer of electrons, thereby enhancing photocatalytic NO removal and hydrogen production.
Two In-based organic–inorganic hybrid compounds with reversible phase transition derived from the order–disorder changes of cations or anions
Authors: Zhang Yin-Qiang , Xu Guan-Cheng , Li Min
Published: July 2021

The phase transitions of (C6H5CH2CH2NH3)2[InBr5(H2O)] and [(C3H7)4N][InCl4] are attributed to the order–disorder changes of phenethylammonium organic cations and [InCl4]− anions, respectively.
Neutron diffraction study of the monoclinic – tetragonal phase transition in NdNbO4 and NdTaO4
Authors: Saura-Múzquiz Matilde , Mullens Bryce G. , Maynard-Casely Helen E. , Kennedy Brendan J.
Published: July 2021

The reversible monoclinic I2/a phase to tetragonal I41/a phase transition in NdNbO4 and NdTaO4 is shown to be first order as a result of the breaking of a long B–O contact.
Theoretical studies on iron-catalyzed azaindoline formation: mechanism and site-selectivity
Authors: Wang Juping , Xiao Rongxing , Zheng Kangcheng , Qian Li
Published: July 2021

Calculations show that a larger steric congestion disfavors sp2 electrophilic aromatic substitution, thus resulting in Fe-catalyzed site-selectivity toward sp3 C–H amination.
Environment-friendly nanocellulose-indigo dyeing of textiles
Authors: Rai Smriti , Saremi Raha , Sharma Suraj , Minko Sergiy
Published: July 2021

Nanofibrillated cellulose technology in combination with chitosan additives provides a sustainable and environmentally sound technology for indigo dyeing of cotton fabrics.
Simulating drug concentrations in PDMS microfluidic organ chips
Authors: Grant Jennifer , Özkan Alican , Oh Crystal , Mahajan Gautam , Prantil-Baun Rachelle , Ingber Donald E.
Published: July 2021

A simulation method for predicting drug responses is described that overcomes challenges relating to absorption of hydrophobic drug molecules by Organ Chips made from polydimethylsiloxane (PDMS).
Rapid quantitative assays for glucose-6-phosphate dehydrogenase (G6PD) and hemoglobin combined on a capillary-driven microfluidic chip
Authors: Rocca Marco , Temiz Yuksel , Salva Marie L. , Castonguay Samuel , Gervais Thomas , Niemeyer Christof M. , Delamarche Emmanuel
Published: July 2021

We present an elegant combination of experimental and theoretical work for implementing a quantitative test for G6PD deficiency using a capillary-driven microfluidic device.
The synergistic effect of the RuO2 nanoparticle-decorated V2O5 heterostructure for high-performance asymmetric supercapacitors
Authors: Palani N. S. , Kavitha N. S. , Venkatesh K. S. , Ashok Kumar K. , Senthilkumar M. , Pandurangan A. , Ilangovan R.
Published: July 2021

Schematic illustration of a 3 wt% RuO2–V2O5//AC asymmetric supercapacitor device
Construction of a novel Cu2(OH)3F/g-C3N4 heterojunction as a high-activity Fenton-like catalyst driven by visible light
Authors: Wang Lifen , Lin Yinjun , Guo Wenting , Yang Yuanyuan , Zhang Ruiqin , Zhai Yunpu , Liu Yonggang
Published: July 2021

Inhibiting the competitive effect of O2 in copper-based Fenton reagents and improving the photogenerated electron–hole pair separation of g-C3N4 are the focus of current research.
Phenanthroimidazole derivatives showing mild intramolecular charge transfer and high quantum yields and their applications in OLEDs
Authors: Dixit Swati J. N. , Gupta Chandan , Tadavi Tanveer Habib , Chandrakumar K. R. S. , Bose Sangita , Agarwal Neeraj
Published: July 2021

Phenanthroimidazole derivatives showing bipolar characters, strong emissions in the blue region and their applications in OLED is presented.
Design of novel photosensitizers and controlled singlet oxygen generation for photodynamic therapy
Authors: Tanrıverdi Eçik Esra , Bulut Onur , Kazan Hasan Huseyin , Şenkuytu Elif , Çoşut Bünyemin
Published: July 2021

Photodynamic therapy (PDT) is a promising strategy in cancer treatment with its relatively lower side effect profile.
Preparation of Fe3O4@polypyrrole composite materials for asymmetric supercapacitor applications
Authors: Li Shiyun , Zhang Ling , Zhang Luxi , Guo Yuqiong , Chen Xuecheng , Holze Rudolf , Tang Tao
Published: July 2021

The assembled Fe3O4@PPy//MoO3 asymmetric coin supercapacitor exhibits a high energy density and excellent cycling stability.
A fluorescent polymeric INHIBIT logic gate based on the natural product quinidine
Authors: Agius Nicola’ , Magri David C.
Published: July 2021

The natural product quinidine was polymerised with acrylamide and demonstrated as a H+-enabled, Cl−-disabled INHIBIT logic gate in water.
CpxM(iii)-catalyzed enantioselective C–H functionalization through migratory insertion of metal–carbenes/nitrenes
Authors: Pan Chongqing , Yin Si-Yong , Gu Qing , You Shu-Li
Published: July 2021

In this review, we highlight the developments in chiral CpxM(iii) complexes or achiral CpxM(iii) complexes/chiral carboxylic acid-catalyzed enantioselective C–H functionalization reactions through migratory insertion of metal–carbenes/nitrenes.
Synthetic lignin-like and degradable nanocarriers
Authors: Beckers Sebastian J. , Fischer Jochen , Wurm Frederik R.
Published: July 2021

Bio-based lignin-like building blocks were synthesized and transformed into polyurethane nanocarriers by interfacial polymerization in a miniemulsion. The nanocarriers were degradable by fungal enzymes and might be used for agrochemical delivery.
Extremely tough and healable elastomer realized via reducing the crystallinity of its rigid domain
Authors: Xing Chong , Wu Haomin , Du Ruichun , Zhang Qiuhong , Jia Xudong
Published: July 2021

We propose a new concept, called “toughening the rigidity”, for the field of self-healing materials.
Synthesis of photothermal antimicrobial cotton gauze using AuNPs as photothermal transduction agents
Authors: Cao Fengyi , Wei Changmin , Ma Gangqing , Hou Like , Zhang Rencong , Mei Lin , Qin Qi
Published: July 2021

In this work, AuNPs were used as photothermal transduction agents to synthesize modified photothermal antimicrobial cotton gauze.
The development and validation of a sensitive HPLC-MS/MS method for the quantitative and pharmacokinetic study of the seven components of Buddleja lindleyana Fort.
Authors: Zhang Xia , Zhang Zhi-qing , Zhang Li-cang , Wang Ke-xin , Zhang Lan-tong , Li De-qiang
Published: July 2021

Quality control and pharmacokinetics of Buddleja lindleyana Fort by HPLC-MS/MS.
Control of the asymmetric growth of nanowire arrays with gradient profiles
Authors: Patiño Cárdenas Juan , Encinas Armando , Ramírez Villegas Rossana , de la Torre Medina Joaquín
Published: July 2021

A novel electrochemical methodology for the growth of arrays of Ni and Co nanowires (NWs) with linear and non-linear varying micro-height gradient profiles (μHGPs), has been developed.
Promising antimicrobial and antibiofilm activities of reduced graphene oxide-metal oxide (RGO-NiO, RGO-AgO, and RGO-ZnO) nanocomposites
Authors: Elbasuney Sherif , El-Sayyad Gharieb S. , Tantawy Hesham , Hashem Amr H.
Published: July 2021

Microbial infections are considered one of the most dangerous infections for humans due to their resistance to most antimicrobial agents. Nanocomposites-based reduced graphene oxide doped with metal oxides possesses a promising antimicrobial potential.
One-pot synthesis for gradient copolymers via concurrent tandem living radical polymerization: mild and selective transesterification of methyl acrylate through Al(acac)3 with common alcohols
Authors: Huynh Tam Thi-Thanh , Kim Si Eun , Kim Soon Cheon , Kim Jin Chul , Park Young Il , Jeong Ji-Eun , Yeo Hyeonuk , Lee Sang-Ho
Published: July 2021

The acrylate based gradient copolymers were successfully synthesized by concurrent tandem living radical polymerization using Al(acac)3 as cocatalyst with common alcohols.
Explosive vapour/particles detection using SERS substrates and a hand-held Raman detector
Authors: Heleg-Shabtai Vered , Zaltsman Amalia , Sharon Mali , Sharabi Hagai , Nir Ido , Marder Dana , Cohen Guy , Ron Izhar , Pevzner Alexander
Published: July 2021

We developed and optimized surface-enhanced Raman spectrometry (SERS) methods for trace analysis of explosive vapour and particles using a hand-held Raman spectrometer in the field.
Bioinspired triangular ZnO nanoclusters synthesized by Argyreia nervosa nascent leaf extract for the efficient electrochemical determination of vitamin C
Authors: Singh Pooja , Singh Kshitij RB , Singh Jay , Prasad Priyanka , Singh Ravindra Pratap
Published: July 2021

This study reports the synthesis of bioinspired triangular ZnO nanoclusters (bT-ZnO NCs) from Argyreia nervosa nascent leaf extract and their use in the agricultural domain for the label-free detection of vitamin C and its antibacterial efficiency.
Theoretical study of ternary silver fluorides AgMF4 (M = Cu, Ni, Co) formation at pressures up to 20 GPa
Authors: Domański Mateusz A. , Derzsi Mariana , Grochala Wojciech
Published: July 2021

Only several compounds bearing the Ag(ii) cation and other paramagnetic transition metal cations are known experimentally. Here, we predict as yet unknown AgMF4 phases and their stability in function of pressure.
Asymmetric synthesis of pharmaceutically relevant 1-aryl-2-heteroaryl- and 1,2-diheteroarylcyclopropane-1-carboxylates
Authors: Sharland Jack C. , Wei Bo , Hardee David J. , Hodges Timothy R. , Gong Wei , Voight Eric A. , Davies Huw M. L.
Published: July 2021

The dirhodium tetracarboxylate-catalysed asymmetric cyclopropanation has been applied to the enantioselective syntheses of pharmaceutically relevant 1-aryl-2-heteroaryl- and 1,2-diheteroarylcyclopropane-1-carboxylates.
Direct Cu-mediated aromatic 18F-labeling of highly reactive tetrazines for pretargeted bioorthogonal PET imaging
Authors: García-Vázquez Rocío , Battisti Umberto M. , Jørgensen Jesper T. , Shalgunov Vladimir , Hvass Lars , Stares Daniel L. , Petersen Ida N. , Crestey François , Löffler Andreas , Svatunek Dennis , Kristensen Jesper L. , Mikula Hannes , Kjaer Andreas , Herth Matthias M.
Published: July 2021

A simple, scalable and reliable direct 18F-labeling procedure has been developed and applied to obtain a pretargeting tetrazine-based imaging agent with favorable in vivo characteristics.