bluuebunny/crossref_metadata_2025 huggingface dataset:
Investigating the efficiency of dynamic vaccination by consolidating detecting errors and vaccine efficacy
Authors: Tatsukawa Yuichi , Arefin Md. Rajib , Utsumi Shinobu , Tanimoto Jun
Published: May 2022

Vaccination, if available, is the best preventive measure against infectious diseases. It is, however, needed to prudently design vaccination strategies to successfully mitigate the disease spreading, especially in a time when vaccine scarcity is inevitable. Here we investigate a vaccination strategy on a scale-free network where susceptible individuals, who have social connections with infected people, are being detected and given vaccination before having any physical contact with the infected one. Nevertheless, detecting susceptible (also infected ones) may not be perfect due to the lack of information. Also, vaccines do not confer perfect immunity in reality. We incorporate these pragmatic hindrances in our analysis. We find that if vaccines are highly efficacious, and the detecting error is low, then it is possible to confine the disease spreading—by administering a less amount of vaccination—within a short period. In a situation where tracing susceptible seems difficult, then expanding the range for vaccination targets can be socially advantageous only if vaccines are effective enough. Our analysis further reveals that a more frequent screening for vaccination can reduce the effect of detecting errors. In the end, we present a link percolation-based analytic method to approximate the results of our simulation.
Dissociating passage and duration of time experiences through the intensity of ongoing visual change
Authors: Jording Mathis , Vogel David H. V. , Viswanathan Shivakumar , Vogeley Kai
Published: May 2022

The experience of passage of time is assumed to be a constitutive component of our subjective phenomenal experience and our everyday life that is detached from the estimation of time durations. However, our understanding of the factors contributing to passage of time experience has been mostly restricted to associated emotional and cognitive experiences in temporally extended situations. Here, we tested the influence of low-level visual stimuli on the experience of passage and duration of time in 10–30 s intervals. We introduce a new paradigm in a starfield environment that allows to study the effects of basic visual aspects of a scene (velocity and density of stars in the starfield) and the duration of the situation, both embedded in a color tracking task. Results from two experiments show that velocity and density of stars in the starfield affect passage of time experience independent from duration estimation and the color tracking task: the experienced passage of time is accelerated with higher rates of moment-to-moment changes in the starfield while duration estimations are comparably unaffected. The results strongly suggest differential psychological processes underlying the experience of time passing by and the ability to estimate time durations. Potential mechanisms behind these results and the prospects of experimental approaches towards passage of time experience in psychological and neuroscientific research are discussed.
Sportomics suggests that albuminuria is a sensitive biomarker of hydration in cross combat
Authors: Gonçalves Luis C. O. , Magalhães-Neto Anibal M. , Bassini Adriana , Prado Eduardo Seixas , Muniz-Santos Renan , Verli Marcio V. A. , Jurisica Lukas , Lopes Jaqueline S. S. , Jurisica Igor , Andrade Claudia M. B. , Cameron L. C.
Published: May 2022

We have been using sportomics to understand hypermetabolic stress. Cross Combat (CCombat) has recently been initiated as a high-intensity functional training method inspired by CrossFit. We used a CCombat session to induce metabolic stress and evaluated its effects on hydration and kidney function. Blood samples were collected from 16 elite-level professional male athletes engaged in training sessions over a 96-h protocol. Blood myoglobin increased by ~ 3.5-fold (119 ± 21 to 369 ± 62 nmol/L;p = .001) in response to the protocol, returning to the pre-exercise level within 48 h. Furthermore,d-dimer levels increased from 6.5 ± 0.6 to 79.4 ± 21.3 μmol/L (p < .001) in response to exercise decreasing during recovery with high variability among the studied athletes. Albuminemia and creatininemia increased ~ 10% and cystatin C increased ~ 240% (1.7 ± 0.1 to 5.7 ± 0.5 mg/L; p < .001; effect size = 2.4) in response to the protocol. We measured albuminuria (HuA) to assess kidney permeability to albumin caused by exercise. HuA increased ~ 16-fold (0.16 ± 0.03 to 2.47 ± 0.41 μmol/L;p < .001; effect size = 1.4) in response to exercise, dropping and reaching basal levels during 48 h. Here, we suggest that microalbuminuria can be used as an early, sensitive, easy, and inexpensive biomarker to evaluate hydration status changes during intensive exercise, decreasing chronic impairment in renal function.
Piezo2 is not an indispensable mechanosensor in murine cardiomyocytes
Authors: Kloth Benjamin , Mearini Giulia , Weinberger Florian , Stenzig Justus , Geertz Birgit , Starbatty Jutta , Lindner Diana , Schumacher Udo , Reichenspurner Hermann , Eschenhagen Thomas , Hirt Marc N.
Published: May 2022

A short-term increase in ventricular filling leads to an immediate (Frank-Starling mechanism) and a slower (Anrep effect) rise in cardiac contractility, while long-term increased cardiac load (e.g., in arterial hypertension) decreases contractility. Whether these answers to mechanical tension are mediated by specific sensors in cardiomyocytes remains elusive. In this study, the piezo2 protein was evaluated as a potential mechanosensor. Piezo2 was found to be upregulated in various rat and mouse cardiac tissues upon mechanical or pharmacological stress. To investigate its function, C57BL/6J mice with homozygous cardiomyocyte-specific piezo2 knockout [Piezo2-KO] were created. To this end, α-MHC-Cre mice were crossed with homozygous “floxed” piezo2 mice. α-MHC-Cre mice crossed with wildtype mice served as controls [WT-Cre+]. In cardiomyocytes of Piezo2-KO mice, piezo2 mRNA was reduced by > 90% and piezo2 protein was not detectable. Piezo2-KO mice displayed no morphological abnormalities or altered cardiac function under nonstressed conditions. In a subsequent step, hearts of Piezo2-KO or WT-Cre+-mice were stressed by either three weeks of increased afterload (angiotensin II, 2.5 mg/kg/day) or one week of hypercontractility (isoprenaline, 30 mg/kg/day). As expected, angiotensin II treatment in WT-Cre+-mice resulted in higher heart and lung weight (per body weight, + 38%, + 42%), lower ejection fraction and cardiac output (− 30%, − 39%) and higher left ventricular anterior and posterior wall thickness (+ 34%, + 37%), while isoprenaline led to higher heart weight (per body weight, + 25%) and higher heart rate and cardiac output (+ 24%, + 54%). The Piezo2-KO mice reacted similarly with the exception that the angiotensin II-induced increases in wall thickness were blunted and the isoprenaline-induced increase in cardiac output was slightly less pronounced. As cardiac function was neither severely affected under basal nor under stressed conditions in Piezo2-KO mice, we conclude that piezo2 is not an indispensable mechanosensor in cardiomyocytes.
Gender differences in guilt aversion in Korea and the United Kingdom
Authors: Nihonsugi Tsuyoshi , Tanaka Toshiko , Haruno Masahiko
Published: May 2022

Guilt aversion, which describes the tendency to reduce the discrepancy between a partner’s expectation and his/her actual outcome, is a key driving force for cooperation in both the East and West. A recent study based on functional magnetic resonance imaging and online behavioral experiments reported that men show stronger guilt aversion than women and also suggested that men’s predominance in guilt aversion arises from stronger sensitivity to social norms. However, since the participants of that study were all Japanese, it remains unaddressed how common the gender difference in guilt aversion is. Here, we conducted online behavioral studies on people from Korea and the UK (Korea;n = 294, UK;n = 347) using the same trust game. We confirmed that men exhibit stronger guilt aversion than women in both countries. Furthermore, consistent with the Japanese study, our Lasso regression analysis for UK participants revealed that Big Five Conscientiousness (rule-based decision) correlated with guilt aversion in men. In contrast, guilt aversion in Korean men correlated with Big Five Neuroticism. Thus, our results suggest that gender differences in guilt aversion are universal but the underlying cognitive processes may be influenced by cultural differences.
The impact of age, performance status and comorbidities on nab-paclitaxel plus gemcitabine effectiveness in patients with metastatic pancreatic cancer
Authors: Catalano Martina , Aprile Giuseppe , Conca Raffaele , Petrioli Roberto , Ramello Monica , Roviello Giandomenico
Published: May 2022

Few studies have evaluated the impact of risk factors such as performance status (PS) and comorbidities on overall survival (OS) in patients with metastatic pancreatic cancer (mPC). We investigated the influence of comorbidity, PS and age on nab-paclitaxel and gemcitabine (NabGem) effectiveness profile in naive patients with mPC. 153 patients with mPC treated with NabGem upfront was divided in three groups (score 0 to 3) based on the absence or the presence of one or more risk factors among: age ≥ 70 years, PS 1 and comorbidities and the clinical outcomes was compared. Fifty-five patients were elderly (≥ 70 years), 80 patients have PS 1, whereas the other have PS 0. Patients with no risk factors (score 0) had an overall survival higher (20 months) than patients with one or two risk factors (score 1–2) (OS 11 months) and with three risk factors (score 3) (OS 8 months) (p < 0.01). The difference in OS was also statistically significant in patients without comorbidities (OS 15 months) compared to those with ≥ 1 comorbidity (OS 10 months) (p < 0.001). NabGem chemotherapy represent an effective treatment in naive patients. Age, PS, and comorbidities were prognostic factors in patients with metastatic pancreatic cancer.
Modeling the metachronous ripening pattern of mature green tomato as affected by cultivar and storage temperature
Authors: Ciptaningtyas Drupadi , Benyakart Nisareefah , Umehara Hitomi , Johkan Masafumi , Nakamura Nobutaka , Nagata Masayasu , Orikasa Takahiro , Thammawong Manasikan , Shiina Takeo
Published: May 2022

Nutritional benefits and organoleptic characteristics, including visual, textural, taste, and flavor, are the critical characteristics of economically important fruit. Ripening is a crucial phenomenon in the formation of these quality characteristics in fruits. Therefore, controlling the ripening phenomenon is extremely important not only to maximize the benefits of the fruit but also to avoid food losses caused by over-ripening. Tomato is an important model plant, especially for research on fruit ripening. The metachronous model of tomato ripening is presented in this report. This model predicts the postharvest ripening time of tomato fruit in terms of red color development based on the storage period. A modified sigmoid-type function model was used to develop the prediction model. The observations and analyses were conducted at different storage temperatures and in different tomato cultivars. The result exhibits that the integration of the proposed model and time lag was successfully showing the postharvest ripening time history of tomato fruit at the full range ripening process, from onset to fully ripe. This study provides critical information on postharvest quality control research and supply chain development in eliminating food loss and waste, which leads to the realization of sustainable development goals.
Unveiling host–guest–solvent interactions in solution by identifying highly unstable host–guest configurations in thermal non-equilibrium gas phase
Authors: Choi Hyoju , Oh Young-Ho , Park Soojin , Lee Sung-Sik , Oh Han Bin , Lee Sungyul
Published: May 2022

We propose a novel scheme of examining the host–guest–solvent interactions in solution from their gas phase structures. By adopting the permethylated β-cyclodextrin (perm β-CD)–protonated L-Lysine non-covalent complex as a prototypical system, we present the infrared multiple photon dissociation (IRMPD) spectrum of the gas phase complex produced by electrospray ionization technique. In order to elucidate the structure of perm β-CD)/LysH+ complex in the gas phase, we carry out quantum chemical calculations to assign the two strong peaks at 3,340 and 3,560 cm−1 in the IRMPD spectrum, finding that the carboxyl forms loose hydrogen bonding with the perm β-CD, whereas the ammonium group of L-Lysine is away from the perm β-CD unit. By simulating the structures of perm β-CD/H+/L-Lysine complex in solution using the supramolecule/continuum model, we find that the extremely unstable gas phase structure corresponds to the most stable conformer in solution.
Prevalence and predictors of anaemia among adolescents in Bihar and Uttar Pradesh, India
Authors: Chauhan Shekhar , Kumar Pradeep , Marbaniang Strong P. , Srivastava Shobhit , Patel Ratna
Published: May 2022

In adolescents, anaemia has been linked to affecting physical disorders, growth, and mental retardation and also increases reproductive morbidities among adolescent girls during their womanhood. It is believed that with increasing age, females are more prone to anaemia than their male counterparts. Unfortunately, the anaemia intervention program, such as the National Nutrition Anaemia Prophylaxis Programme, primarily targets infants, young children, pregnant and lactation women, and not adolescents. Therefore, this study tries to fill this gap and study the prevalence of anaemia and the associated factors among adolescent boys and girls residing in Uttar Pradesh and Bihar, India. Secondary data analysis was performed on cross-sectional survey data from the Understanding the Lives of Adolescents and Young Adults survey. The sample size was 20,594 adolescents aged 10–19 years in Uttar Pradesh and Bihar, India. The outcome variable was anaemia, and the explanatory variables were age, education, working status, media exposure, marital status, received IFA and deworming tablets, BMI status, stunting status, wealth index, caste, religion, residence, and States. Descriptive statistics and bivariate analysis were used to find the preliminary results. Multinomial regression analysis was carried out to provide the adjusted estimates. Overall, anaemia was more prevalent among adolescent girls than adolescent boys (20% vs. 8.7%). Moderate/severe anaemia was 0.24 and 0.49 times less likely among adolescent boys and girls, respectively, who had 10 and above years of schooling than adolescents with no schooling (p < 0.01). Rural adolescent boys were 1.49 times (p < 0.05) more likely to suffer from moderate/severe anaemia than urban counterparts. The odds for moderate/severe anaemia among adolescent boys were relatively higher among late adolescents, with no mass-media exposure, stunted, and rural adolescents. Similarly, odds for moderate/severe anaemia among adolescent girls were higher among late adolescents and adolescents without schooling and mass-media exposure. Prevalence of anaemia was higher among adolescent girls than in boys. Lower education status, rural residence, late adolescence, no exposure to mass media, and stunting were the predictors of moderate/severe anaemia among adolescents. Anaemia among adolescents must be addressed through effective public health policy targeting adolescents residing in rural areas. There is a need to disseminate information about anaemia-related programs, such as National Iron Plus Initiative (NIPI), through mass media, and subsequently, the public health system may be prepared to tailor the needs of adolescent boys and girls.
Eveningness is associated with sedentary behavior and increased 10-year risk of cardiovascular disease: the SCAPIS pilot cohort
Authors: Kobayashi Frisk Mio , Hedner Jan , Grote Ludger , Ekblom Örjan , Arvidsson Daniel , Bergström Göran , Börjesson Mats , Zou Ding
Published: May 2022

Chronotype reflects individual preferences for timing activities throughout the day, determined by the circadian system, environment and behavior. The relationship between chronotype, physical activity, and cardiovascular health has not been established. We studied the association between chronotype, physical activity patterns, and an estimated 10-year risk of first-onset cardiovascular disease (CVD) in the Swedish CArdioPulmonary bioImage Study (SCAPIS) pilot cohort. A cross-sectional analysis was performed in a middle-aged population (n = 812, 48% male). Self-assessed chronotype was classified as extreme morning, moderate morning, intermediate, moderate evening, or extreme evening. Time spent sedentary (SED) and in moderate to vigorous physical activity (MVPA) were derived from hip accelerometer. The newly introduced Systematic COronary Risk Evaluation 2 (SCORE2) model was used to estimate CVD risk based on gender, age, smoking status, systolic blood pressure, and non-HDL cholesterol. Extreme evening chronotypes exhibited the most sedentary lifestyle and least MVPA (55.3 ± 10.2 and 5.3 ± 2.9% of wear-time, respectively), with a dose-dependent relationship between chronotype and SED/MVPA (p < 0.001 and p = 0.001, respectively). In a multivariate generalized linear regression model, extreme evening chronotype was associated with increased SCORE2 risk compared to extreme morning type independent of confounders (β = 0.45, SE = 0.21, p = 0.031). Mediation analysis indicated SED was a significant mediator of the relationship between chronotype and SCORE2. Evening chronotype is associated with unhealthier physical activity patterns and poorer cardiovascular health compared to morning chronotype. Chronotype should be considered in lifestyle counseling and primary prevention programs as a potential modifiable risk factor.
Molecular characteristics of the full-length genome of occult hepatitis B virus from blood donors in China
Authors: Wang Min , Xu Ru , Huang Jieting , Liao Qiao , Tang Xi , Shan Zhengang , Zhong Huishan , Rong Xia , Fu Yongshui
Published: May 2022

The characteristics of a large sample size of the full-length genome of occult hepatitis B virus (HBV) infection (OBI) have not been extensively explored in China. Voluntary blood donors who were HBsAg-negative/HBV NAT-positive (HBsAg−/HBV NAT+) were identified by blood screening and recruited. Blood samples were tested for HBV serologic markers, viral loads, and PCR to identify OBI. HBV full-length genomes were obtained by amplifying two fragments using nested PCR. The characterization of OBI strains was based on sequence analyses compared with HBsAg+ strains obtained from the same donor population. Of the 50 full-length genomes of 172 identified OBI strains, 33 were classified as genotype B (OBIB) and 17 strains as genotype C (OBIC). Significantly higher nucleotide variabilities were observed in the Pre-S2/S promoter region (SP2) and core upstream regulatory sequence (CURS) in OBIB than in their HBsAg+ controls (P < 0.05). Both OBIB and OBIC showed higher amino acid (aa) variabilities in Pol and Pre-S/S regions than their controls (P < 0.05). In addition, 19 novel OBI-related mutations were found spanning the four open reading frames (ORFs) of the HBV genome. Four novel deletions and one novel insertion were also found in OBIC strains. Several novel OBI-related mutations spanning the four ORFs of the virus were identified by characterizing a large sample size of the full-length OBI genome, which may affect the production of HBsAg and contribute to the occult infection of HBV.
Efficient binary and QAM optical modulation in ultra-compact MZI structures utilizing indium-tin-oxide
Authors: Mohammadi-Pouyan Sohrab , Miri Mehdi , Sheikhi Mohammad Hossein
Published: May 2022

A design for a CMOS-compatible active waveguide is proposed in which the epsilon-near-zero (ENZ) property of the indium-tin-oxide (ITO) is used to induce large variations in the real and imaginary parts of the waveguide effective index. The proposed waveguide comprises a TiN/HfO2/ITO metal–oxide–semiconductor (MOS) structure where the speed and power consumption are significantly improved by the application of the TiN and realization of double accumulation layers in the ITO. Simulations show the insertion loss (IL) of 0.38 dB/μm, extinction ratio (ER) of 11 dB/μm, the energy consumption of 11.87fJ/bit and electrical bandwidth of 280 GHz when the designed waveguide is used as an electro-absorption modulator. The waveguide is then used in an MZI structure to design binary and quadrature-amplitude-modulator (QAM) modulators. For binary modulator, the IL, ER, and VπLπfigures of merit are found to be 1.24 dB, 54 dB, and 6.4 V μm, respectively, which show substantial improvement over previous ITO-based designs. In the QAM design, the symmetry in the real and imaginary parts of the waveguide effective index is employed to obviate the need for additional phase shift elements. This considerably reduces the overall length of the proposed QAM modulator and improves efficiency. Simulations show the energy consumption and bit rate, of 2fJ/bit and 560 Gbps, respectively in a 4-QAM modulator with the overall length of 6.2 μm. The symmetry properties of the proposed waveguide can be further exploited to realize quadrature-phase-shift-keying (QPSK) modulators which here is used in combination with the 4-QAM to propose a design for the more advanced modulation scheme of 16-QAM. The design of ITO-based QAM modulators is here reported for the first time and the abovementioned performance parameters show the unique properties of these modulators in terms of footprint, energy consumption and modulation-speed.
Development of computer adaptive testing for measuring depression in patients with cancer
Authors: Kurisu Ken , Hashimoto Masayuki , Ishizawa Tetsuro , Shibayama Osamu , Inada Shuji , Fujisawa Daisuke , Inoguchi Hironobu , Shimoda Haruki , Inoue Shinichiro , Ogawa Asao , Akechi Tatsuo , Shimizu Ken , Uchitomi Yosuke , Matsuyama Yutaka , Yoshiuchi Kazuhiro
Published: May 2022

The usefulness of depression scales for patients with cancer based on item response theory (IRT) and computer adaptive testing (CAT) has not yet been fully explored. This study thus aimed to develop an IRT-based tool for measuring depression in patients with cancer. We analyzed data from 393 patients with cancer from four tertiary centers in Japan who had not received psychiatric treatment. They answered 62 questions across five categories regarding their psychiatric status over the previous week. We selected 28 items that satisfied the assumptions of IRT, fitted a graded response model to these items, and performed CAT simulations. The CAT simulation used an average of 6.96 items and showed a Pearson’s correlation coefficient of 0.916 (95% confidence interval, 0.899–0.931) between the degree of depression estimated by simulation and that estimated using all 28 items. The measurement precision of CAT with only four items was superior to that of the estimation using the calibrated Patient Health Questionnaire-9. These results imply that this scale is useful and accurate for measuring depression in patients with cancer.
Investigating the benthic megafauna in the eastern Clarion Clipperton Fracture Zone (north-east Pacific) based on distribution models predicted with random forest
Authors: Uhlenkott Katja , Simon-Lledó Erik , Vink Annemiek , Martínez Arbizu Pedro
Published: May 2022

The eastern Clarion Clipperton Fracture Zone (CCZ) is a heterogeneous abyssal environment harbouring relatively low abundances of highly diverse megafauna communities. Potential future mining of polymetallic nodules threatens these benthic communities and calls for detailed spatial investigation of megafauna. Based on the predicted probability of occurrence of 68 megafauna morphotypes, a seabed area extending over 62,000 km2 was divided into three assemblages covering an eastern plain area, a deeper western plain area and an area covering both seamount and abyssal hill sites. Richness, estimated as the sum of morphotypes with a predicted probability of occurrence larger than 0.5, amounts to 15.4 of 68 morphotypes. Highest richness was predicted at seamount sites, and lowest richness in the western part of the study area. Combining the predicted probability of megafauna occurrences with bathymetric variables, two seamount habitats and two plain habitats could be defined. One of these megafauna plain habitats corresponds with contiguous nodule fields of high abundance that may be targeted for future mining, showing that prospective nodule fields have a clearly differentiated megafauna assemblage. Monitoring and management schemes, including the delineation of preservation and protection areas within contract areas, need to incorporate this geological and biological heterogeneity.
Association of fetal eye movement density with sleeping and developmental problems in 1.5-year-old infants
Authors: Nakahara Kazushige , Morokuma Seiichi , Maehara Kana , Okawa Hikohiro , Funabiki Yasuko , Kato Kiyoko
Published: May 2022

Eye movement density (EMD) is an evaluation index of rapid eye movements observed during sleep. This study aimed to investigate the association of fetal EMD with sleeping and developmental problems in infancy. We observed 60 normal singleton pregnancies (gestational age 28–37 weeks) using ultrasonography for 1 h. Fetal eye movements were counted, and EMD was calculated. Participants answered questionnaires regarding their child’s sleep and development 1.5 years after their delivery. The outcomes of an infant’s sleep were night awakening (yes or no), bedtime (before or after 22:00), and nighttime sleep duration (< 9 or ≥ 9 h). An infant’s development was evaluated using the Child Behavior Checklist (CBCL) T-score. We found that decreased fetal EMD was associated with increased night awakening at the age of 1.5 years (odds ratio 0.84, 95% confidence interval 0.69–1.00 per unit decrease in EMD). However, fetal EMD was not associated with bedtime or nighttime sleep duration. In addition, fetal EMD was independently associated with the total problems T-score of the CBCL at the age of 1.5 years in the multivariate model (p = 0.047). In conclusion, fetal EMD may be associated with sleep and developmental problems in infants.
Neutrophil elastase aggravates periodontitis by disrupting gingival epithelial barrier via cleaving cell adhesion molecules
Authors: Hiyoshi Takumi , Domon Hisanori , Maekawa Tomoki , Tamura Hikaru , Isono Toshihito , Hirayama Satoru , Sasagawa Karin , Takizawa Fumio , Tabeta Koichi , Terao Yutaka
Published: May 2022

Neutrophil elastase (NE) functions as a host defense factor; however, excessive NE activity can potentially destroy human tissues. Although NE activity is positively correlated to gingival crevicular fluid and clinical attachment loss in periodontitis, the underlying mechanisms by which NE aggravates periodontitis remain elusive. In this study, we investigated how NE induces periodontitis severity and whether NE inhibitors were efficacious in periodontitis treatment. In a ligature-induced murine model of periodontitis, neutrophil recruitment, NE activity, and periodontal bone loss were increased in the periodontal tissue. Local administration of an NE inhibitor significantly decreased NE activity in periodontal tissue and attenuated periodontal bone loss. Furthermore, the transcription of proinflammatory cytokines in the gingiva, which was significantly upregulated in the model of periodontitis, was significantly downregulated by NE inhibitor injection. An in vitro study demonstrated that NE cleaved cell adhesion molecules, such as desmoglein 1, occludin, and E-cadherin, and induced exfoliation of the epithelial keratinous layer in three-dimensional human oral epithelial tissue models. The permeability of fluorescein-5-isothiocyanate-dextran or periodontal pathogen was significantly increased by NE treatment in the human gingival epithelial monolayer. These findings suggest that NE induces the disruption of the gingival epithelial barrier and bacterial invasion in periodontal tissues, aggravating periodontitis.
Effect of ionic liquid on formation of copolyimide ultrafiltration membranes with improved rejection of La3+
Authors: Pulyalina Alexandra , Grekov Konstantin , Tataurova Vera , Senchukova Anna , Novikov Alexander , Faykov Ilya , Polotskaya Galina
Published: May 2022

Ultrafiltration (UF) as a widely used industrial separation method with optimal selection of membrane materials can be applied to extract rare earth metals from dilute solutions formed during the processing of electronic waste by hydrometallurgical methods. In the present work, promising UF copolyimide membranes were prepared using [hmim][TCB] ionic liquid (IL) co-solvent which can be considered as an environmentally friendly alternative to conventional solvents. The membranes were characterized by ATR-FTIR, TGA, SEM and quantum chemical calculations. A significant difference in morphology of these membranes was revealed by SEM of membrane cross-sections; the P84 membrane has finger-like structure of porous substrate in contrast to spongy structure of substrate for the P84/IL membrane due to a higher dynamic viscosity of the casting solution. The transport parameters were determined in ultrafiltration tests with pure water and an aqueous solution of bovine serum albumin. The addition of ionic liquid to the P84 casting solution increases the performance of the membrane. The rejection capacity was evaluated with respect to La3+ in the form of a lanthanum alizarin complex (LAC) in aqueous acetone solution. The P84 membrane prepared using IL showed a high rejection (98.5%) with respect to LAC, as well as a significant productivity.
Diversity and distribution of Type VI Secretion System gene clusters in bacterial plasmids
Authors: Morgado Sergio , Vicente Ana Carolina
Published: May 2022

Type VI Secretion System (T6SS) is a nanomolecular apparatus that allows the delivery of effector molecules through the cell envelope of a donor bacterium to prokaryotic and/or eukaryotic cells, playing a role in the bacterial competition, virulence, and host interaction. T6SS is patchily distributed in bacterial genomes, suggesting an association with horizontal gene transfer (HGT). In fact, T6SS gene loci are eventually found within genomic islands (GIs), and there are some reports in plasmids and integrative and conjugative elements (ICEs). The impact that T6SS may have on bacteria fitness and the lack of evidence on its spread mechanism led us to question whether plasmids could represent a key mechanism in the spread of T6SS in bacteria. Therefore, we performed an in-silico analysis to reveal the association between T6SS and plasmids. T6SS was mined on 30,660 plasmids from NCBI based on the presence of at least six T6SS core proteins. T6SS was identified in 330 plasmids, all belonging to the same type (T6SSi), mainly in Proteobacteria (328/330), particularly in Rhizobium and Ralstonia. Interestingly, most genomes carrying T6SS-harboring plasmids did not encode T6SS in their chromosomes, and, in general, chromosomal and plasmid T6SSs did not form separate clades.
The K-Ras(G12D)-inhibitory peptide KS-58 suppresses growth of murine CT26 colorectal cancer cell-derived tumors
Authors: Sakamoto Kotaro , Lin Bangzhong , Nunomura Kazuto , Izawa Takeshi , Nakagawa Shinsaku
Published: May 2022

Mutations in the cell proliferation regulator K-Ras are found with a variety of cancer types, so drugs targeting these mutant proteins could hold great clinical potential. Very recently, a drug targeting the K-Ras(G12C) mutant observed in lung cancer gained regulatory approval and several clinical trials are currently underway to examine the efficacy of this agent when combined with other drugs such as a monoclonal antibody inhibitor of programmed cell death 1 receptor (anti-PD-1). Alternatively, there are currently no approved drugs targeting K-Ras(G12D), the most common cancer-associated K-Ras mutant. In 2020, we described the development of the K-Ras(G12D) inhibitory bicyclic peptide KS-58 and presented evidence for anticancer activity against mouse xenografts derived from the human pancreatic cancer cell line PANC-1 stably expressing K-Ras(G12D). Here, we show that KS-58 also possess anticancer activity against mouse tumors derived from the colorectal cancer cell line CT26 stably expressing K-Ras(G12D). Further, KS-58 treatment reduced phosphorylation of ERK, a major downstream signaling factor in the Ras pathway, confirming that KS-58 inhibits K-Ras(G12D) function. Unexpectedly; however, KS-58 did not show additive or synergistic anticancer activity with mouse anti-PD-1. Morphological analysis and immunostaining demonstrated no obvious differences in CD8+ cells infiltration or PD-L1 expression levels in CT26-derived tumors exposed to monotherapy or combination treatment. Nonetheless, KS-58 demonstrated reasonable stability in blood (t1/2 ≈ 30 min) and no obvious systemic adverse effects, suggesting clinical potential as a lead molecule against colorectal cancer.
Machine learning based algorithms to impute PaO2 from SpO2 values and development of an online calculator
Authors: Ren Shuangxia , Zupetic Jill A. , Tabary Mohammadreza , DeSensi Rebecca , Nouraie Mehdi , Lu Xinghua , Boyce Richard D. , Lee Janet S.
Published: May 2022

We created an online calculator using machine learning (ML) algorithms to impute the partial pressure of oxygen (PaO2)/fraction of delivered oxygen (FiO2) ratio using the non-invasive peripheral saturation of oxygen (SpO2) and compared the accuracy of the ML models we developed to published equations. We generated three ML algorithms (neural network, regression, and kernel-based methods) using seven clinical variable features (N = 9900 ICU events) and subsequently three features (N = 20,198 ICU events) as input into the models. Data from mechanically ventilated ICU patients were obtained from the publicly available Medical Information Mart for Intensive Care (MIMIC III) database and used for analysis. Compared to seven features, three features (SpO2, FiO2 and PEEP) were sufficient to impute PaO2 from the SpO2. Any of the ML models enabled imputation of PaO2 from the SpO2 with lower error and showed greater accuracy in predicting PaO2/FiO2 ≤ 150 compared to the previously published log-linear and non-linear equations. To address potential hidden hypoxemia that occurs more frequently in Black patients, we conducted sensitivity analysis and show ML models outperformed published equations in both Black and White patients. Imputation using data from an independent validation cohort of ICU patients (N = 133) showed greater accuracy with ML models.
The redistribution of anthropogenic excess heat is a key driver of warming in the North Atlantic
Authors: Messias Marie-José , Mercier Herlé
Published: May 2022

Understanding ocean excess heat uptake is crucial for assessing climate warming, yet uncertainties remain about its history and redistribution. Here, we reconstruct ocean heat content change along the 25°N Atlantic hydrographic section and assess its spatiotemporal origin and fate. We show that the delayed response of the ocean below 700 m to sea surface temperature change contribute to 62% of full depth warming at this latitude for 1850–2018, falling to 35% for 1975–2018 when anthropogenic warming in the upper ocean accelerated. The regional climate fluctuations shape ocean heat content variability at 25°N with contributions from the Labrador Sea producing most of the decadal variability and the Nordic Seas bound to become the main contributor to deep ocean warming in the coming decades. Chiefly, the net excess heat transport across 25°N has increased recently, warming the domain north of 25°N at a rate of 0.89 ± 0.19 W m−2 during 2012–2018, revealing that excess heat redistribution is a key driver of North Atlantic heat gain.
Ratiometric fluorescence enzyme-linked immunosorbent assay based on carbon dots@SiO2@CdTe quantum dots with dual functionalities for alpha-fetoprotein
Authors: Liang Xiuhui , Lin Zhenzhen , Li Ling , Tang Dianping , Kong Jinfeng
Published: May 2022

A ratiometric fluorescence enzyme-linked immunosorbent assay was constructed for the screening of alpha-fetoprotein using carbon dots@SiO2@CdTe quantum dots.
One-pot bifunctionalization of silica nanoparticles conjugated with bioorthogonal linkers: application in dual-modal imaging
Authors: Lee Jaewoon , Kim Jeunghwan , Heo Incheol , Kim Su Jin , Jang Sein , Lee Ho-Young , Jang Kwang-Suk , Yang Chul-Su , Lee Youngbok , Yoo Won Cheol , Min Sun-Joon
Published: May 2022

Covalently conjugated bifunctional silica nanoparticles (SNPs) through one-pot bioorthogonal reactions in the application ofin vivodual imaging.
The enhanced antitumor activity of the polymeric conjugate covalently coupled with docetaxel and docosahexaenoic acid
Authors: Dong Peng , Liu Jiaojiao , Lv Hongshuai , Wu Jiaan , Zhang Naining , Wang Si , Li Xiaohai , Hu Jinghua , Wang Anny , Li Daisy J. , Wang Dandan , Cao Shengnan , Xie Liangyu , Shi Yikang
Published: May 2022

The polymer dual drug conjugate synthesized by coupling docetaxel (DTX) and docosahexaenoic acid (DHA) with bifunctionalized dextran is selectively accumulated in tumor and nearly eradicates all MCF-7 tumors bearing in nude mice.
Flavonoid–amyloid fibril hybrid hydrogels for obesity control via the construction of gut microbiota
Authors: Hu Bing , Li Min , He Xiaoqian , Wang Hongliang , Huang Jianan , Liu Zhonghua , Mezzenga Raffaele
Published: May 2022

Flavonoid–amyloid fibril hydrogels inhibited the core molecular links between gut microbes and host intestinal lipid absorption, enhanced the intestinal barrier and reduced the abundance of bacterial taxa generating pro-inflammatory products.
Targeted delivery of irinotecan and SLP2 shRNA with GRP-conjugated magnetic graphene oxide for glioblastoma treatment
Authors: Chuang Chi-Cheng , Lan Yu-Hsiang , Lu Yu-Jen , Weng Yu-Lun , Chen Jyh-Ping
Published: May 2022

Chitosan/urocanic acid modified mGO can anchor GPR, complex SLP2 shRNA and bind CPT-11 for dual targeted drug/gene delivery. Intravenous administration plus magnetic guidance provides excellent glioblastoma treatment in a murine brain tumor model.
A Ni(COD)2-free approach for the synthesis of high surface area porous aromatic frameworks
Authors: Porath Anthony J. , Hettiarachchi Malsha A. , Li Shuxiao , Bour James R.
Published: May 2022

A new method for the synthesis of high surface area porous aromatic frameworks that does not use Ni(COD)2 is described.
Charge doping to flat AgF2 monolayers in a chemical capacitor setup
Authors: Jezierski Daniel , Grzelak Adam , Liu Xiaoqiang , Pandey Shishir Kumar , Gastiasoro Maria N. , Lorenzana José , Feng Ji , Grochala Wojciech
Published: May 2022

Flat monolayers of silver(ii) fluoride have been recently predicted to have large potential for ambient pressure superconductivity if doped to an optimal level. Here we calculate how much optimal level is and explore chemical ways of doping.
An accurate potential model for the a3Σu+ state of the lithium dimer
Authors: Sheng Xiaowei , Li Mengyuan , Tang K. T.
Published: May 2022

A new potential model is presented for the a3Σu+ state of the lithium dimer which is comparable in accuracy with the latest ab initio experimental potential energy curves.
Recent advances in iridium-catalyzed enantioselective allylic substitution using phosphoramidite-alkene ligands
Authors: Sawano Takahiro , Takeuchi Ryo
Published: May 2022

This minireview describes the recent progress of iridium-catalyzed enantioselective allylic substitution using phosphoramidite-alkene ligands realizing highly enantioselective carbon–carbon and carbon–heteroatom bond formation.
Electron transport through a (terpyridine)ruthenium metallo-surfactant containing a redox-active aminocatechol derivative
Authors: Amunugama Samudra , Asempa Eyram , Tripathi Ramesh Chandra , Wanniarachchi Dakshika , Baydoun Habib , Hoffmann Peter , Jakubikova Elena , Verani Cláudio N.
Published: May 2022

A ruthenium-containing metallosurfactant [Ru(terpy-X)(SQ)Cl]PF6 displays extensive orbital mixing, and allows a low-lying LUMO primarily associated with the SQ ligand to engage in directional electron transport in Au|LB 1|Au junctions.
Computational comparison of Ru(bda)(py)2 and Fe(bda)(py)2 as water oxidation catalysts
Authors: Li Ge , Ahlquist Mårten S. G.
Published: May 2022

Replacing Ru by Fe in Ru(bda)(py)2 leads to drastically altered properties and loss of catalytic activity.
A croconate-directed supramolecular self-healable Cd(ii)-metallogel with dispersed 2D-nanosheets of hexagonal boron nitride: a comparative outcome of the charge-transport phenomena and non-linear rectifying behaviour of semiconducting diodes
Authors: Majumdar Santanu , Pal Baishakhi , Sahu Rajib , Das Krishna Sundar , Ray Partha Pratim , Dey Biswajit
Published: May 2022

Croconate-based self-healable Cd(ii)-metallogel and 2D h(BN)-nanosheets dispersed metallogel composite are employed to fabricate different semiconducting Schottky barrier diode devices with promising charge-transport phenomena.
The non-centrosymmetric layered compounds IrTe2I and RhTe2I
Authors: Ni Danrui , Gui Xin , Han Bingzheng , Wang Haozhe , Xie Weiwei , Ong Nai Phuan , Cava Robert J.
Published: May 2022

IrTe2I and RhTe2I were prepared by high-pressure synthesis, with a non-centrosymmetric, non-symmorphic, layered structure. Characterization reveals their diamagnetic, semiconducting behavior.
Decomposition of lignin models enabled by copper-based photocatalysis under biphasic conditions
Authors: Bertin Cédric , Cruché Corentin , Chacón-Huete Franklin , Forgione Pat , Collins Shawn K.
Published: May 2022

A heteroleptic copper complex, Cu(bathocup)(XantPhos)BF4 promotes the fragmentation of lignin models of the β-O-4 linkage under aqueous biphasic reaction conditions using catalytic amounts of NABnH, a hydrogen atom donor.
Investigation of the self-absorption temporal evolution of alkali and alkaline earth metal elements in soil using laser-induced breakdown spectroscopy
Authors: Tang Yun , Peng Xuxiang , Hu Zhenlin , Li Jingfeng , Hao Zhongqi , Yang Xinyan , Ma Shixiang , Yuan Rui , Guo Lianbo
Published: May 2022

A convenient LIBS approach was proposed to reduce the self-absorption effect of alkali and alkaline earth metal elements in soil.
BA2XBr4 (X = Pb, Cu, Sn): from lead to lead-free halide perovskite scintillators
Authors: Diguna Lina Jaya , Jonathan Luke , Mahyuddin Muhammad Haris , Arramel  , Maddalena Francesco , Mulyani Irma , Onggo Djulia , Bachiri Abdellah , Witkowski Marcin Eugeniusz , Makowski Michal , Kowal Dominik , Drozdowski Winicjusz , Birowosuto Muhammad Danang
Published: May 2022

Understanding the scintillation properties of Cu- and Sn-based two-dimensional perovskite crystals while comparing them to those of high-light-yield and fast Pb-based crystals.
Robust CON-type zeolite nanocatalyst in methanol-to-olefins reaction: downsizing, recrystallisation and defect-healing treatments toward prolonged lifetime
Authors: Takemoto Masanori , Iyoki Kenta , Otsuka Yuki , Onozuka Hiroaki , Chokkalingam Anand , Yokoi Toshiyuki , Tsutsuminai Susumu , Takewaki Takahiko , Wakahira Toru , Okubo Tatsuya
Published: May 2022

A CON-type zeolite underwent bead-milling, recrystallisation and defect-healing treatments to yield highly crystalline zeolite nanoparticles, showing prolonged lifetime in MTO reactions.
Synergy of backbone and end-group engineering for efficient non-fused-ring asymmetric electron acceptor-based organic solar cells
Authors: Qian Can , Zhu Jianing , Sun Dawei , Xia Hao , Guo Jiali , Zhao Jinhui , Zhu Mengbing , Tan Hua , Song Xin , Zhu Weiguo
Published: May 2022

Two silole-containing non-fused-ring asymmetric small-molecule electron acceptors were designed and synthesized with an A–D1–D2–A configuration, featuring the assembly of dithienosilole and isooctoxy indenothiophene.
Shining light in blind alleys: deciphering bacterial attachment in silicon microstructures
Authors: Leonard Heidi , Jiang Xin , Arshavsky-Graham Sofia , Holtzman Liran , Haimov Yuri , Weizman Daniel , Halachmi Sarel , Segal Ester
Published: May 2022

Chemically manipulated silicon diffraction gratings serve as a toolbox for the systematic investigation on how different material properties guide bacterial attachment onto a surface, which is imperative for mediating infections and biofouling.
A ratiometric luminescence pH sensor based on YAG:V3+,V5+ nanoparticles
Authors: Kniec K. , Marciniak L.
Published: May 2022

A new type of ratiometric luminescence-based pH sensor is described.
Single-component, metal-free, solvent-free HO-functionalized 1,2,3-triazole-based ionic liquid catalysts for efficient CO2 conversion
Authors: Arruda da Mata Álvaro Farias , Glanzmann Nicolas , Fazza Stroppa Pedro Henrique , Terra Martins Felipe , das Chagas Rafael Pavão , da Silva Adilson David , Milani Jorge Luiz Sônego
Published: May 2022

A series of HO-functionalized 1,2,3-triazolic ionic liquids (1–9b) bearing different alkyl chains and counter-anions was evaluated as green, single-component, bifunctional catalysts for cycloaddition reactions involving CO2 and epoxides.
Spatiotemporal tracking of the transport of RNA nano-drugs: from transmembrane to intracellular delivery
Authors: Pang Xuelei , Zhang Qingrong , Li Siying , Zhao Jing , Cai Mingjun , Wang Hongda , Xu Haijiao , Yang Guocheng , Shan Yuping
Published: May 2022

This report proposes the transport dynamic mechanism of targeted RNA nano-drugs from extracellular to intracellular under physiological conditions. The dynamic process of RNA nano-drug entry into cells is analyzed at the single particle level.
Differentiation and classification of bacterial endotoxins based on surface enhanced Raman scattering and advanced machine learning
Authors: Yang Yanjun , Xu Beibei , Haverstick James , Ibtehaz Nabil , Muszyński Artur , Chen Xianyan , Chowdhury Muhammad E. H. , Zughaier Susu M. , Zhao Yiping
Published: May 2022

A rapid and simple method was proposed for differentiation and classification of eleven bacterial endotoxins based on surface enhanced Raman scattering (SERS) and advanced machine learning algorithms.
Synthesis of 6′-galactosyllactose, a deviant human milk oligosaccharide, with the aid of Candida antarctica lipase-B
Authors: Hunt Kaarel Erik , García-Sosa Alfonso T. , Shalima Tatsiana , Maran Uko , Vilu Raivo , Kanger Tõnis
Published: May 2022

Using Novozyme N435 in organic media led to selective deacetylation of various pyranose saccharides. Two of the products were then used to synthesise 6'-galactosyllactose in overall a short pathway.
A copper-catalysed one-pot hydroboration/azidation/cycloaddition reaction of alkynes
Authors: Zimba Hamilton C. , Baldassari Lucas L. , Moro Angélica V.
Published: May 2022

Herein we report our study on the development of a catalytic one-pot process, showing the challenges and advantages encountered all over the way.
Sequentially bridging anionic addition and ring-opening polymerization by cooperative organocatalysis: well-defined block copolymers from methacrylates and cyclic esters
Authors: Liu Meng , Wang Bin , Pan Li , Liu Xiao-Hui , Li Yue-sheng
Published: May 2022

Facile synthesis of well-defined block copolymers from “one-pot” sequential copolymerization of (meth)acrylates and cyclic esters were achieved by the optimalt-BuP4/(thio)ureas cooperative catalyst.
Tandem C–N coupling/Boulton–Katritzky rearrangement reactions of 3-aminoisoxazoles or 1,2,4-oxadiazol-3-amines with 2-pyridyl trifluoromethanesulfonate: a rapid access to [1,2,4]triazolo[1,5-a]pyridines
Authors: Xiong Huilan , Li Zihao , Tang Huang , He Lei , Zhou Wei
Published: May 2022

A palladium-catalyzed tandem C–N coupling/BK rearrangement reaction of 1,2,4-oxadiazol-3-amines or 3-aminoisoxazoles with 2-pyridyl trifluoromethanesulfonate has been achieved for the first time.
Ferrocene anchored activated carbon as a versatile catalyst for the synthesis of 1,5-benzodiazepines via one-pot environmentally benign conditions
Authors: Kusuma Suman , Patil Komal N. , Srinivasappa Puneethkumar M. , Chaudhari Nitin , Soni Ajay , Nabgan Walid , Jadhav Arvind H.
Published: May 2022

1,5-Benzodiazepine is considered as one of the central moieties in the core unit of most drug molecules.