bluuebunny/crossref_metadata_2025 huggingface dataset:
A meta-analysis of the ecological and economic outcomes of mangrove restoration
Authors: Su Jie , Friess Daniel A. , Gasparatos Alexandros
Published: August 2021

Mangrove restoration has become a popular strategy to ensure the critical functions and economic benefits of this ecosystem. This study conducts a meta-analysis of the peer-reviewed literature on the outcomes of mangrove restoration. On aggregate, restored mangroves provide higher ecosystem functions than unvegetated tidal flats but lower than natural mangrove stands (respectively RR’ = 0.43, 95%CIs = 0.23 to 0.63; RR’ = −0.21, 95%CIs = −0.34 to −0.08), while they perform on par with naturally-regenerated mangroves and degraded mangroves. However, restoration outcomes vary widely between functions and comparative bases, and are mediated by factors such as restoration age, species, and restoration method. Furthermore, mangrove restoration offers positive benefit-cost ratios ranging from 10.50 to 6.83 under variable discount rates (−2% to 8%), suggesting that mangrove restoration is a cost-effective form of ecosystem management. Overall, the results suggest that mangrove restoration has substantial potential to contribute to multiple policy objectives related to biodiversity conservation, climate change mitigation and sustainable development.
Purely one-dimensional ferroelectricity and antiferroelectricity from van der Waals niobium oxide trihalides
Authors: Zhang Lei , Tang Cheng , Sanvito Stefano , Du Aijun
Published: August 2021

Intrinsic one-dimensional (1D) ferroelectric materials are rarely reported but are highly sought to break the size limit of nanostructured conventional ferroelectrics. Herein, we report a class of inborn 1D ferroelectric nanowires, namely 1D NbOX3 (X = Cl, Br, and I), that can be directly obtained from experimentally realized van der Waals crystals. In addition to the sizable spontaneous polarization, 1D NbOX3 exhibits low ferroelectric switching barriers, small coercive electric fields, and high critical temperature, governed by the hybridization of the Nb empty d orbitals and the O p orbitals (d0 rule). Moreover, the double-channel structure of 1D NbOX3 also enables the emergence of 1D antiferroelectric metastable states. Our findings not only propose a class of 1D ferroelectric materials toward the development of miniaturized and high-density electronic devices, but also pave an avenue of obtaining intrinsic 1D ferroelectrics from van der Waals crystals.
All organic multiferroic magnetoelectric complexes with strong interfacial spin-dipole interaction
Authors: Yang Yuying , Chen Zhiyan , Lu Xiangqian , Hao Xiaotao , Qin Wei
Published: August 2021

The organic magnetoelectric complexes are beneficial for the development on flexible magnetoelectric devices in the future. In this work, we fabricated all organic multiferroic ferromagnetic/ferroelectric complexes to study magnetoelectric coupling at room temperature. Under the stimulus of external magnetic field, the localization of charge inside organic ferromagnets will be enhanced to affect spin–dipole interaction at organic multiferroic interfaces, where overall ferroelectric polarization is tuned to present an organic magnetoelectric coupling. Moreover, the magnetoelectric coupling of the organic ferromagnetic/ferroelectric complex is tightly dependent on incident light intensity. Decreasing light intensity, the dominated interfacial interaction will switch from spin–dipole to dipole–dipole interaction, which leads to the magnetoelectric coefficient changing from positive to negative in organic multiferroic magnetoelectric complexes.
Multivariate genome-wide covariance analyses of literacy, language and working memory skills reveal distinct etiologies
Authors: Shapland Chin Yang , Verhoef Ellen , Davey Smith George , Fisher Simon E. , Verhulst Brad , Dale Philip S. , St Pourcain Beate
Published: August 2021

Several abilities outside literacy proper are associated with reading and spelling, both phenotypically and genetically, though our knowledge of multivariate genomic covariance structures is incomplete. Here, we introduce structural models describing genetic and residual influences between traits to study multivariate links across measures of literacy, phonological awareness, oral language, and phonological working memory (PWM) in unrelated UK youth (8–13 years,N = 6453). We find that all phenotypes share a large proportion of underlying genetic variation, although especially oral language and PWM reveal substantial differences in their genetic variance composition with substantial trait-specific genetic influences. Multivariate genetic and residual trait covariance showed concordant patterns, except for marked differences between oral language and literacy/phonological awareness, where strong genetic links contrasted near-zero residual overlap. These findings suggest differences in etiological mechanisms, acting beyond a pleiotropic set of genetic variants, and implicate variation in trait modifiability even among phenotypes that have high genetic correlations.
Concerted genomic and epigenomic changes accompany stabilization of Arabidopsis allopolyploids
Authors: Jiang Xinyu , Song Qingxin , Ye Wenxue , Chen Z. Jeffrey
Published: August 2021

During evolution successful allopolyploids must overcome ‘genome shock’ between hybridizing species but the underlying process remains elusive. Here, we report concerted genomic and epigenomic changes in resynthesized and natural Arabidopsis suecica (TTAA) allotetraploids derived from Arabidopsisthaliana (TT) and Arabidopsisarenosa (AA). A. suecica shows conserved gene synteny and content with more gene family gain and loss in the A and T subgenomes than respective progenitors, although A. arenosa-derived subgenome has more structural variation and transposon distributions than A. thaliana-derived subgenome. These balanced genomic variations are accompanied by pervasive convergent and concerted changes in DNA methylation and gene expression among allotetraploids. The A subgenome is hypomethylated rapidly from F1 to resynthesized allotetraploids and convergently to the T-subgenome level in natural A. suecica, despite many other methylated loci being inherited from F1 to all allotetraploids. These changes in DNA methylation, including small RNAs, in allotetraploids may affect gene expression and phenotypic variation, including flowering, silencing of self-incompatibility and upregulation of meiosis- and mitosis-related genes. In conclusion, concerted genomic and epigenomic changes may improve stability and adaptation during polyploid evolution.
Gradual evolution of allopolyploidy in Arabidopsis suecica
Authors: Burns Robin , Mandáková Terezie , Gunis Joanna , Soto-Jiménez Luz Mayela , Liu Chang , Lysak Martin A. , Novikova Polina Yu. , Nordborg Magnus
Published: August 2021

Most diploid organisms have polyploid ancestors. The evolutionary process of polyploidization is poorly understood but has frequently been conjectured to involve some form of ‘genome shock’, such as genome reorganization and subgenome expression dominance. Here we study polyploidization in Arabidopsis suecica, a post-glacial allopolyploid species formed via hybridization of Arabidopsis thaliana and Arabidopsis arenosa. We generated a chromosome-level genome assembly of A. suecica and complemented it with polymorphism and transcriptome data from all species. Despite a divergence around 6 million years ago (Ma) between the ancestral species and differences in their genome composition, we see no evidence of a genome shock: the A. suecica genome is colinear with the ancestral genomes; there is no subgenome dominance in expression; and transposon dynamics appear stable. However, we find changes suggesting gradual adaptation to polyploidy. In particular, the A. thaliana subgenome shows upregulation of meiosis-related genes, possibly to prevent aneuploidy and undesirable homeologous exchanges that are observed in synthetic A. suecica, and the A. arenosa subgenome shows upregulation of cyto-nuclear processes, possibly in response to the new cytoplasmic environment of A. suecica, with plastids maternally inherited from A. thaliana. These changes are not seen in synthetic hybrids, and thus are likely to represent subsequent evolution.
Community composition of aquatic fungi across the thawing Arctic
Authors: Kluge Mariana , Wurzbacher Christian , Wauthy Maxime , Clemmensen Karina Engelbrecht , Hawkes Jeffrey Alistair , Einarsdottir Karolina , Stenlid Jan , Peura Sari
Published: August 2021

Thermokarst activity at permafrost sites releases considerable amounts of ancient carbon to the atmosphere. A large part of this carbon is released via thermokarst ponds, and fungi could be an important organismal group enabling its recycling. However, our knowledge about aquatic fungi in thermokarstic systems is extremely limited. In this study, we collected samples from five permafrost sites distributed across circumpolar Arctic and representing different stages of permafrost integrity. Surface water samples were taken from the ponds and, additionally, for most of the ponds also the detritus and sediment samples were taken. All the samples were extracted for total DNA, which was then amplified for the fungal ITS2 region of the ribosomal genes. These amplicons were sequenced using PacBio technology. Water samples were also collected to analyze the chemical conditions in the ponds, including nutrient status and the quality and quantity of dissolved organic carbon. This dataset gives a unique overview of the impact of the thawing permafrost on fungal communities and their potential role on carbon recycling.
Mistaken identity may explain why male sea snakes (Aipysurus laevis, Elapidae, Hydrophiinae) “attack” scuba divers
Authors: Lynch Tim P. , Alford Ross A. , Shine Richard
Published: August 2021

Scuba-divers on tropical coral-reefs often report unprovoked “attacks” by highly venomous Olive sea snakes (Aipysurus laevis). Snakes swim directly towards divers, sometimes wrapping coils around the diver’s limbs and biting. Based on a focal animal observation study of free-ranging Olive sea snakes in the southern Great Barrier Reef, we suggest that these “attacks” are misdirected courtship responses. Approaches to divers were most common during the breeding season (winter) and were by males rather than by female snakes. Males also made repeated approaches, spent more time with the diver, and exhibited behaviours (such as coiling around a limb) also seen during courtship. Agitated rapid approaches by males, easily interpreted as “attacks”, often occurred after a courting male lost contact with a female he was pursuing, after interactions between rival males, or when a diver tried to flee from a male. These patterns suggest that “attacks” by sea snakes on humans result from mistaken identity during sexual interactions. Rapid approaches by females occurred when they were being chased by males. Divers that flee from snakes may inadvertently mimic the responses of female snakes to courtship, encouraging males to give chase. To prevent escalation of encounters, divers should keep still and avoid retaliation.
East Asian climate response to COVID-19 lockdown measures in China
Authors: Lee Sun-Seon , Chu Jung-Eun , Timmermann Axel , Chung Eui-Seok , Lee June-Yi
Published: August 2021

The COVID-19 pandemic caused disruptions of public life and imposed lockdown measures in 2020 resulted in considerable reductions of anthropogenic aerosol emissions. It still remains unclear how the associated short-term changes in atmospheric chemistry influenced weather and climate on regional scales. To understand the underlying physical mechanisms, we conduct ensemble aerosol perturbation experiments with the Community Earth System Model, version 2. In the simulations reduced anthropogenic aerosol emissions in February generate anomalous surface warming and warm-moist air advection which promotes low-level cloud formation over China. Although the simulated response is weak, it is detectable in some areas, in qualitative agreement with the observations. The negative dynamical cloud feedback offsets the effect from reduced cloud condensation nuclei. Additional perturbation experiments with strongly amplified air pollution over China reveal a nonlinear sensitivity of regional atmospheric conditions to chemical/radiative perturbations. COVID-19-related changes in anthropogenic aerosol emissions provide an excellent testbed to elucidate the interaction between air pollution and climate.
Physiological causes of transplantation shock on rice growth inhibition and delayed heading
Authors: Lee HyeonSeok , Hwang WoonHa , Jeong JaeHyeok , Yang SeoYeong , Jeong NamJin , Lee ChungKuen , Choi MyoungGoo
Published: August 2021

Transplanting is an important rice cultivation method; however, transplanting shock commonly affects grain yield, and the mechanisms underlying the inhibition of growth, development, and delayed heading caused by transplanting shock have not yet been clearly elucidated. Here, we investigated the effects of seedling age, temperature, and root damage during transplanting on growth, development, and time to heading, both under artificially controlled and natural day length. Additionally, we investigated the impact of seedling root growth space and the potential mitigating effects of residual seed nutrients on young transplanted seedlings. The delay in heading in transplanted versus directly seeded plants was affected more by growth inhibition during the seedling period than by root damage during transplanting. However, root damage had an effect on the inhibition of leaf and tiller development, and the ratio of leaves to tillers increased because tiller development was inhibited more by transplanting shock compared with leaf development. Based on these findings, we propose factors reflecting the delay in growth due to transplanting shock that should be included for more accurate rice phenology modeling and suggest advantageous seeding conditions and transplanting methods for improved rice cultivation and yield in response to climate change.
Nearby contours abolish the binocular advantage
Authors: Lev Maria , Ding Jian , Polat Uri , Levi Dennis M.
Published: August 2021

That binocular viewing confers an advantage over monocular viewing for detecting isolated low luminance or low contrast objects, has been known for well over a century; however, the processes involved in combining the images from the two eyes are still not fully understood. Importantly, in natural vision, objects are rarely isolated but appear in context. It is well known that nearby contours can either facilitate or suppress detection, depending on their distance from the target and the global configuration. Here we report that at close distances collinear (but not orthogonal) flanking contours suppress detection more under binocular compared to monocular viewing, thus completely abolishing the binocular advantage, both at threshold and suprathreshold levels. In contrast, more distant flankers facilitate both monocular and binocular detection, preserving a binocular advantage up to about four times the detection threshold. Our results for monocular and binocular viewing, for threshold contrast discrimination without nearby flankers, can be explained by a gain control model with uncertainty and internal multiplicative noise adding additional constraints on detection. However, in context with nearby flankers, both contrast detection threshold and suprathreshold contrast appearance matching require the addition of both target-to-target and flank-to-target interactions occurring before the site of binocular combination. To test an alternative model, in which the interactions occur after the site of binocular combination, we performed a dichoptic contrast matching experiment, with the target presented to one eye, and the flanks to the other eye. The two models make very different predictions for abutting flanks under dichoptic conditions. Interactions after the combination site predict that the perceived contrast of the flanked target will be strongly suppressed, while interactions before the site predict the perceived contrast will be more or less veridical. The data are consistent with the latter model, strongly suggesting that the interactions take place before the site of binocular combination.
Human players manage to extort more than the mutual cooperation payoff in repeated social dilemmas
Authors: D’Arcangelo Chiara , Andreozzi Luciano , Faillo Marco
Published: August 2021

Social dilemmas are mixed-motive games. Although the players have a common interest in maintaining cooperation, each may try to obtain a larger payoff by cooperating less than the other. This phenomenon received increased attention after Press and Dyson discovered a class of strategies for the repeated prisoner’s dilemma (extortionate strategies) that secure for themselves a payoff that is never smaller, but can be larger, than the opponent’s payoff. We conducted an experiment to test whether humans adopt extortionate strategies when playing a social dilemma. Our results reveal that human subjects do try to extort a larger payoff from their opponents. However, they are only successful when extortionate strategies are part of a Nash equilibrium. In settings where extortionate strategies do not appear in any Nash equilibrium, attempts at extortion only result in a breakdown of cooperation. Our subjects recognized the different incentives implied by the two settings, and they were ready to “extort” the opponent when allowed to do so. This suggests that deviations from mutually cooperative equilibria, which are usually attributed to players’ impatience, coordination problems, or lack of information, can instead be driven by subjects trying to reach more favorable outcomes.
Structure activity relationships and the binding mode of quinolinone-pyrimidine hybrids as reversal agents of multidrug resistance mediated by P-gp
Authors: Laiolo Jerónimo , Lanza Priscila Ailin , Parravicini Oscar , Barbieri Cecilia , Insuasty Daniel , Cobo Justo , Vera D. Mariano Adolfo , Enriz Ricardo Daniel , Carpinella Maria Cecilia
Published: August 2021

P-gp-associated multidrug resistance is a major impediment to the success of chemotherapy. With the aim of finding non-toxic and effective P-gp inhibitors, we investigated a panel of quinolin-2-one-pyrimidine hybrids. Among the active compounds, two of them significantly increased intracellular doxorubicin and rhodamine 123 accumulation by inhibiting the efflux mediated by P-gp and restored doxorubicin toxicity at nanomolar range. Structure–activity relationships showed that the number of methoxy groups, an optimal length of the molecule in its extended conformation, and at least one flexible methylene group bridging the quinolinone to the moiety bearing the pyrimidine favored the inhibitory potency of P-gp. The best compounds showed a similar binding pattern and interactions to those of doxorubicin and tariquidar, as revealed by MD and hybrid QM/MM simulations performed with the recent experimental structure of P-gp co-crystallized with paclitaxel. Analysis of the molecular interactions stabilizing the different molecular complexes determined by MD and QTAIM showed that binding to key residues from TMH 4–7 and 12 is required for inhibition.
Irrigation has a higher impact on soil bacterial abundance, diversity and composition than nitrogen fertilization
Authors: Li Haoran , Wang Hongguang , Jia Bin , Li Dongxiao , Fang Qin , Li Ruiqi
Published: August 2021

The aim of this study was to assess the effects of irrigation frequency and nitrogen fertilization rate on the abundance, diversity, and composition of soil bacteria in winter wheat. Irrigation, but not nitrogen fertilization, significantly affected the bacterial alpha diversity index. Among the 50 phyla obtained in these treatments, Proteobacteria, Bacteroidetes, Actinobacteria, Acidobacteria, Gemmatimonadetes, and Firmicutes were the predominant phyla. The LEfSe analysis of different treatments indicated that irrigation had a stronger effect on soil bacteria community composition than nitrogen fertilization. Moreover, the soil pH, moisture, available phosphorus (AP), and available potassium (AK) significantly correlated with the relative abundance of dominant bacteria at the phylum, genus, and operational taxonomic unit (OTU) levels. Overall, after three years of irrigation and fertilization treatments, the effect of irrigation on soil bacteria abundance, diversity, and composition of winter wheat was stronger than that of nitrogen fertilization, highlighting the importance of water availability for bacteria communities in semi-arid ecosystems. Inorganic and organic fertilizers should be applied in rotation.
Identifying volatile in vitro biomarkers for oral bacteria with proton-transfer-reaction mass spectrometry and gas chromatography–mass spectrometry
Authors: Roslund Kajsa , Lehto Markku , Pussinen Pirkko , Hartonen Kari , Groop Per-Henrik , Halonen Lauri , Metsälä Markus
Published: August 2021

We have measured the volatile fingerprints of four pathogenic oral bacteria connected to periodontal disease and dental abscess: Porphyromonas gingivalis (three separate strains), Prevotella intermedia, Prevotella nigrescens and Tannerella forsythia. Volatile fingerprints were measured in vitro from the headspace gas of the bacteria cultured on agar. Concrete identification of new and previously reported bacterial volatiles were performed by a combination of solid phase microextraction (SPME) and offline gas chromatography–mass spectrometry (GC–MS). We also studied the effect of the reduced electric field strength (E/N) on the fragmentation patterns of bacterial volatiles in online proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS). We aimed to discover possible new biomarkers for the studied oral bacteria, as well as to validate the combination of GC–MS and PTR-MS for volatile analysis. Some of the most promising compounds produced include: 1-Methyl-1,2,3,4-tetrahydroisoquinoline (1MeTIQ), indole, and a cascade of sulphur compounds, such as methanethiol, dimethyl disulphide (DMDS) and dimethyl trisulphide (DMTS). We also found that several compounds, especially alcohols, aldehydes and esters, fragment significantly with the PTR-MS method, when high E/N values are used. We conclude that the studied oral bacteria can be separated by their volatile fingerprints in vitro, which could have importance in clinical and laboratory environments. In addition, using softer ionization conditions can improve the performance of the PTR-MS method in the volatile analysis of certain compounds.
Assessing the role of initial conditions in the local structural identifiability of large dynamic models
Authors: Joubert Dominique , Stigter J. D. , Molenaar Jaap
Published: August 2021

Structural identifiabilityis a binary property that determines whether or notuniqueparameter values can, in principle, be estimated from error-free input–output data. The many papers that have been written on this topic collectively stress the importance of this a priori analysis in the model development process. The story however, often ends with a structurally unidentifiable model. This may leave a model developer with no plan of action on how to address this potential issue. We continue this model exploration journey by identifying one of the possible sources of a model’s unidentifiability: problematic initial conditions. It is well-known that certaininitial valuesmay result in the loss of local structural identifiability. Nevertheless, literature on this topic has been limited to the analysis of small toy models. Here, we present a systematic approach to detect problematic initial conditions of real-world systems biology models, that are usually not small. A model’s identifiability can often be reinstated by changing the value of such problematic initial conditions. This provides modellers an option to resolve the “unidentifiable model” problem. Additionally, a good understanding of which initial values should rather be avoided can be very useful during experimental design. We show how our approach works in practice by applying it to five models. First, two small benchmark models are studied to get the reader acquainted with the method. The first one shows the effect of a zero-valued problematic initial condition. The second one illustrates that the approach also yields correct results in the presence of input signals and that problematic initial conditions need not be zero-values. For the remaining three examples, we set out to identify key initial values which may result in the structuralunidentifiability. The third and fourth examples involve a systems biology Epo receptor model and a JAK/STAT model, respectively. In the final Pharmacokinetics model, of which its global structural identifiability has only recently been confirmed, we indicate that there are still sets of initial values for which this property does not hold.
Tissue-specific expression of the SARS-CoV-2 receptor, angiotensin-converting enzyme 2, in mouse models of chronic kidney disease
Authors: Tsukamoto Shunichiro , Wakui Hiromichi , Azushima Kengo , Yamaji Takahiro , Urate Shingo , Suzuki Toru , Abe Eriko , Tanaka Shohei , Taguchi Shinya , Yamada Takayuki , Kinguchi Sho , Kamimura Daisuke , Yamashita Akio , Sano Daisuke , Nakano Masayuki , Hashimoto Tatsuo , Tamura Kouichi
Published: August 2021

Elevated angiotensin-converting enzyme 2 (ACE2) expression in organs that are potential targets of severe acute respiratory syndrome coronavirus 2 may increase the risk of coronavirus disease 2019 (COVID-19) infection. Previous reports show that ACE2 alter its tissue-specific expression patterns under various pathological conditions, including renal diseases. Here, we examined changes in pulmonary ACE2 expression in two mouse chronic kidney disease (CKD) models: adenine-induced (adenine mice) and aristolochic acid-induced (AA mice). We also investigated changes in pulmonary ACE2 expression due to renin–angiotensin system (RAS) blocker (olmesartan) treatment in these mice. Adenine mice showed significant renal functional decline and elevated blood pressure, compared with controls. AA mice also showed significant renal functional decline, compared with vehicles; blood pressure did not differ between groups. Renal ACE2 expression was significantly reduced in adenine mice and AA mice; pulmonary expression was unaffected. Olmesartan attenuated urinary albumin excretion in adenine mice, but did not affect renal or pulmonary ACE2 expression levels. The results suggest that the risk of COVID-19 infection may not be elevated in patients with CKD because of their stable pulmonary ACE2 expression. Moreover, RAS blockers can be used safely in treatment of COVID-19 patients with CKD.
Secondary seed removal in a degraded forest habitat in Madagascar
Authors: Fiedler Paula M. A. , De Lapparent Alice , Razafitsalama Jeremie , Sanamo Justin , Steffens Kim J. E. , Ganzhorn Jörg U.
Published: August 2021

Forest restoration is a prime goal within the 2021–2030 UN “Decade of Ecosystem Resoration”. As part of these activities, natural regeneration has to be promoted for biological as well as for economic reasons. For this, the processes of seed dispersal, seed predation and germination have to be understood in the original as well as in degraded vegetation formations. We used seed removal experiments to assess post-dispersal processes that influence recruitment along a gradient of forest degradation in Madagascar analyzing seeds of three animal dispersed tree species. The percentage of seeds consumed or dispersed, declined from forest (28.6%) to degraded forest (17.2%) to savanna (10.8%). Only three out of 1080 seeds were cached and remained intact during the 14-day experiment. All three seeds were cached in the forest habitat and none in the degraded forest and savanna. The low percentage of seeds removed may be due to the lack of endemic rodents caching seeds, as only introduced rats were recorded in the area. The species-poor fauna of potential secondary seed dispersers of the region and especially in the degraded areas might represent an obstacle for diverse regeneration in degraded regions of Madagascar.
One-year effects of bifocal and unifocal glasses on executive functions in children with Down syndrome in a randomized controlled trial
Authors: de Weger Christine , Boonstra F. Nienke , Goossens Jeroen
Published: August 2021

Appropriate glasses can improve visual functioning of children with Down syndrome (DS), but it is unknown if such interventions influence their cognitive impairments. In a randomized controlled trial with 1-year follow-up. Children with DS (2–16 years) were provided either bifocal glasses (add +2.5 Dioptres; n = 50) or unifocal glasses (n = 52). Executive functions were assessed pre- and post-intervention with the task-based Minnesota Executive Function Scale (MEFS) and with questionnaires, BRIEF-P and BRIEF, parents’ and teachers’ version. Intervention effects and associations between executive functions, (near) vision and ocular alignment were analysed. Intervention improved MEFS-Total-scores in the bifocal group (p = 0.002; Cohen’s d = 0.60) but not in the unifocal group (p = 0.191; Cohen’s d = 0.24). Post-intervention, there was no intergroup difference (p = 0.120; Cohen’s d = 0.34). Post-intervention, higher MEFS-scores were associated with better visual acuities (crowded near p = 0.025; uncrowded near p = 0.019; distant p = 0.045). Pre-post changes in MEFS-scores correlated significantly with improved ocular alignment (p = 0.040). Exploratory analysis of the questionnaires showed improved teacher-rated BRIEF-scores in both groups (bifocals: p = 0.014, Cohen’s d = 1.91; unifocals: p = 0.022, Cohen’s d = 1.46), with no intergroup difference (p = 0.594; Cohen’s d = 0.23). These results demonstrate positive effects of wearing better-correcting glasses on executive functioning in children with DS, suggesting a link between their visual and executive functioning. However, the relative contributions of distant and near vision need further study.
Deep learning for early dental caries detection in bitewing radiographs
Authors: Lee Shinae , Oh Sang-il , Jo Junik , Kang Sumi , Shin Yooseok , Park Jeong-won
Published: August 2021

The early detection of initial dental caries enables preventive treatment, and bitewing radiography is a good diagnostic tool for posterior initial caries. In medical imaging, the utilization of deep learning with convolutional neural networks (CNNs) to process various types of images has been actively researched, with promising performance. In this study, we developed a CNN model using a U-shaped deep CNN (U-Net) for caries detection on bitewing radiographs and investigated whether this model can improve clinicians’ performance. The research complied with relevant ethical regulations. In total, 304 bitewing radiographs were used to train the CNN model and 50 radiographs for performance evaluation. The diagnostic performance of the CNN model on the total test dataset was as follows: precision, 63.29%; recall, 65.02%; and F1-score, 64.14%, showing quite accurate performance. When three dentists detected caries using the results of the CNN model as reference data, the overall diagnostic performance of all three clinicians significantly improved, as shown by an increased sensitivity ratio (D1, 85.34%; D1′, 92.15%; D2, 85.86%; D2′, 93.72%; D3, 69.11%; D3′, 79.06%; p < 0.05). These increases were especially significant (p < 0.05) in the initial and moderate caries subgroups. The deep learning model may help clinicians to diagnose dental caries more accurately.
Fluid resuscitation via colon alleviates systemic inflammation in rats with early-stage severe acute pancreatitis
Authors: Ni Tongtian , Xu Lili , Sun Silei , Ma Li , Zhao Bing , Zhou Weijun , Wen Yi , Ning Ning , Chen Erzhen , Chen Ying , Mao Enqiang
Published: August 2021

Fluid resuscitation via colon (FRVC) is a complementary therapeutic procedure for early-stage cases of severe acute pancreatitis (SAP). The expression of intestinal dendritic cell-specific intercellular adhesion molecule 3-grabbing nonintegrin (DC-SIGN) regulates systemic inflammation. This study aimed to investigate the effect of FRVC on the expression of DC-SIGN in the colon tissue of SAP rats and its effect on the early response of systemic inflammatory and multiple organ injury. SAP was induced in rats via retrograde injection of sodium taurocholate into the biliopancreatic duct. DC-SIGN expression of appeared in the proximal and distal colon. Histological characteristics and inflammatory cytokines were examined to compare the effect of FRVC and intravenous fluid resuscitation (IVFR). The results showed that DC-SIGN expression in the proximal colon increased in a time-dependent manner in the early-stage of SAP rats. FRVC inhibited DC-SIGN expression in the proximal colon. Both FRVC and IVFR alleviated histological injuries of the pancreas and colon. However, FRVC had an advantage over IVFR in alleviating lung injury and reducing serum TNF-α, IL-6 and LPS. These results suggest that FRVC treatment might help suppress systemic inflammation and prevent subsequent organ failure in early-stage SAP rats likely through inhibiting DC-SIGN expression in the proximal colon.
Silicon via nutrient solution modulates deficient and sufficient manganese sugar and energy cane antioxidant systems
Authors: Oliveira Kamilla Silva , de Mello Prado Renato , Checchio Mirela Vantini , Gratão Priscila Lupino
Published: August 2021

Manganese (Mn) is highly demanded by Poaceae, and its deficiency induces physiological and biochemical responses in plants. Silicon (Si), which is beneficial to plants under various stress conditions, may also play an important role in plants without stress. However, the physiological and nutritional mechanisms of Si to improve Mn nutrition in sugarcane and energy cane, in addition to mitigating deficiency stress, are still unclear. The objective of this study is to evaluate whether the mechanisms of action of Si are related to the nutrition of Mn by modulating the antioxidant defense system of sugarcane plants and energy cane plants cultivated in nutrient solution, favoring the physiological and growth factors of plants cultivated under Mn deficiency or sufficiency. Two experiments were carried out with pre-sprouted seedlings ofSaccharum officinarumL. andSaccharum spontaneumL. grown in the nutrient solution. Treatments were arranged in a 2 × 2 factorial design. Plants were grown under Mn sufficiency (20.5 µmol L−1) and the deficiency (0.1 µmol L−1) associated with the absence and presence of Si (2.0 mmol L−1). Mn deficiency caused oxidative stress by increasing lipid peroxidation and decreasing GPOX activity, contents of phenols, pigments, and photosynthetic efficiency, and led to the growth of both studied species. Si improved the response of both species to Mn supply. The attenuation of the effects of Mn deficiency by Si depends on species, with a higher benefit forSaccharum spontaneum. Its performance is involved in reducing the degradation of cells by reactive oxygen species (21%), increasing the contents of phenols (18%), carotenoids (64%), proteins, modulating SOD activity, and improving photosynthetic and growth responses.
Orogen-scale transpression accounts for GPS velocities and kinematic partitioning in the Southern Andes
Authors: Eisermann Jan Oliver , Göllner Paul Leon , Riller Ulrich
Published: August 2021

The Southern Andes are regarded as a typical subduction orogen formed by oblique plate convergence. However, there is considerable uncertainty as to how deformation is kinematically partitioned in the upper plate. Here we use analogue experiments conducted in the MultiBox (Multifunctional analogue Box) apparatus to investigate dextral transpression in the Southern Andes between 34 °S and 42 °S. We find that transpression in our models is caused mainly by two prominent fault sets; transpression zone-parallel dextral oblique-slip thrust faults and sinistral oblique-slip reverse faults. The latter of these sets may be equivalent to northwest-striking faults which were believed to be pre-Andean in origin. We also model variable crustal strength in our experiments and find that stronger crust north of 37 °S and weaker crust to the south best reproduces the observed GPS velocity field. We propose that transpression in the Southern Andes is accommodated by distributed deformation rather than localized displacements on few margin-parallel faults.
A spatial and dynamic solution for allocation of COVID-19 vaccines when supply is limited
Authors: Shi Wenzhong , Tong Chengzhuo , Zhang Anshu , Shi Zhicheng
Published: August 2021

Background

Since most of the global population needs to be vaccinated to reduce COVID-19 transmission and mortality, a shortage of COVID-19 vaccine supply is inevitable. We propose a spatial and dynamic vaccine allocation solution to assist in the allocation of limited vaccines to people who need them most.

Methods

We developed a weighted kernel density estimation (WKDE) model to predict daily COVID-19 symptom onset risk in 291 Tertiary Planning Units in Hong Kong from 18 January 2020 to 22 December 2020. Data of 5,409 COVID-19 onset cases were used. We then obtained spatial distributions of accumulated onset risk under three epidemic scenarios, and computed the vaccine demands to form the vaccine allocation plan. We also compared the vaccine demand under different real-time effective reproductive number (Rt) levels.

Results

The estimated vaccine usages in three epidemiologic scenarios are 30.86% - 45.78% of the Hong Kong population, which is within the total vaccine availability limit. In the sporadic cases or clusters of onset cases scenario, when 6.26% of the total population with travel history to high-risk areas can be vaccinated, the COVID-19 transmission between higher- and lower-risk areas can be reduced. Furthermore, if the current Rt is increased to double, the vaccine usages needed will be increased by more than 7%.

Conclusions

The proposed solution can be used to dynamically allocate limited vaccines in different epidemic scenarios, thereby enabling more effective protection. The increased vaccine usages associated with increased Rt indicates the necessity to maintain appropriate control measures even with vaccines available.
OATs and OCTs: The SLC22 Family of Organic Anion and Cation Transporters
Authors: Matsson Pär , Karlgren Maria
Published: August 2021

The SLC22 transporters belong to the solute carrier (SLC) transporter superfamily and have diverse functions and expression patterns that include the cellular uptake of organic cations, anions and zwitterions in the liver and kidneys. Important members from a pharmacokinetic perspective include the organic anion transporters 1–3 (OAT1–3) and the organic cation transporters 1 and 2 (OCT1 and OCT2). This chapter summarizes current knowledge about the function of OATs and OCTs, their preclinical characterization and the structural determinants of OAT- and OCT-mediated drug transport and drug–drug interactions.
OATPs: The SLCO Family of Organic Anion Transporting Polypeptide Transporters
Authors: Karlgren Maria , Matsson Pär
Published: August 2021

The organic anion transporting polypeptides (OATP/SLCO) belong to the solute carrier (SLC) transporter superfamily and primarily mediate cellular uptake of anionic substrates in diverse tissues, including the liver, small intestines, kidneys and blood–brain barrier. This chapter summarizes current knowledge about the function of OATP transporters, their preclinical characterization, and the structural determinants of OATP-mediated drug transport and drug–drug interactions with a focus on the liver-specific transporters OATP1B1 and OATP1B3.
Reactive Metabolites
Authors: Kalgutkar Amit S.
Published: August 2021

The inability to predict and quantify the risk of immune-mediated idiosyncratic adverse drug reactions (IADRs) initiated by reactive metabolites (RMs) has led to the evolution of high-throughput screens in preclinical discovery to evaluate their formation with new chemical entities (NCEs), with the ultimate goal of eliminating or reducing the liability through medicinal chemistry design cycles. In addition, structural alerts (SAs) are often excluded from drug design, given their propensity to form RMs. However, numerous marketed drugs contain SAs, form RMs and are devoid of IADRs, indicating that excluding SA-containing and/or RM-positive compounds as a standalone mitigation of IADR risks may be over-exaggerated. A critique of the SA/RM concept as applied in drug discovery and evaluation of the evidence linking them to observed toxicities is presented. Risk mitigation strategies for progression of drug candidates that carry a RM liability are also discussed. Finally, several examples of medicinal chemistry tactics to eliminate RM formation in a preclinical discovery setting are presented.
Double-layer capsule of mesoporous ZnO@SnO2 for sensitive detection of triethylamine
Authors: Yin Ming , Zhang Li , Qiu Tianyi , Chen Yan , Qi Shuyan , Wei Xiuxia , Tian Xinxin , Ge Kangjie , Qiu Jingxuan , Xu Dongpo
Published: August 2021

To overcome obstacles such as low response and poor selectivity of pure ZnO and SnO2 gas sensors, the ZnO@SnO2 sensor was synthesized by hydrothermal synthesis.
Macrocyclic peptides as allosteric inhibitors of nicotinamide N-methyltransferase (NNMT)
Authors: van Haren Matthijs J. , Zhang Yurui , Thijssen Vito , Buijs Ned , Gao Yongzhi , Mateuszuk Lukasz , Fedak Filip A. , Kij Agnieszka , Campagna Roberto , Sartini Davide , Emanuelli Monica , Chlopicki Stefan , Jongkees Seino A. K. , Martin Nathaniel I.
Published: August 2021

Using an mRNA display screening technique, macrocyclic peptides were identified as potent, non-competitive inhibitors of nicotinamide N-methyltransferase.
Limiting sulfur and mastering the diffusion of lithium ions with cerium oxide-based porous carbon rods
Authors: Shan Yuhang , Li Libo
Published: August 2021

Cerium dioxide nanocrystals embedded in porous carbon rod materials were used for sulfur storage and embedding.
The electron-transfer intermediates of the oxygen evolution reaction (OER) as polarons by in situ spectroscopy
Authors: Lyle Hanna , Singh Suryansh , Paolino Michael , Vinogradov Ilya , Cuk Tanja
Published: August 2021

The conversion of diffusive forms of energy (electrical and light) into short, compact chemical bonds by catalytic reactions regularly involves moving a carrier from an environment that favors delocalization to one that favors localization.
Catalyzed reaction of isocyanates (RNCO) with water
Authors: Wolf Mark E. , Vandezande Jonathon E. , Schaefer Henry F.
Published: August 2021

The reactions between substituted isocyanates (RNCO) and other small molecules (e.g. water, alcohols, and amines) are of significant industrial importance, particularly for the development of novel polyurethanes and other useful polymers.
Reduced-dimensional surface hopping with offline–online computations
Authors: Morrow Zachary , Kwon Hyuk-Yong , Kelley C. T. , Jakubikova Elena
Published: August 2021

We simulate the photodissociation of azomethane with a fewest-switches surface hopping method on reduced-dimensional potential energy surfaces constructed with sparse grid interpolation.
Broadening of horizons in the synthesis of CD3-labeled molecules
Authors: Sun Qiao , Soulé Jean-François
Published: August 2021

This review highlights the different approaches for the preparation of CD3-labeling molecules.
Effect of formulations and fermentation processes on volatile organic compounds and prebiotic potential of gluten-free bread fortified by spirulina (Arthrospira platensis)
Authors: Casciano Flavia , Nissen Lorenzo , Gianotti Andrea
Published: August 2021

Gluten free (GF) foods, designed and marketed for the needs of people who are unable to metabolize gluten, in recent years have aroused growing interest that has led to the conquest of important market segments, with a strongly growing trend.
Protonation- and electrostatic-interaction-based fluorescence probes for the selective detection of picric acid (2,4,6-trinitrophenol) – an explosive material
Authors: Dhiman Sukhvinder , Singla Nancy , Ahmad Manzoor , Singh Prabhpreet , Kumar Subodh
Published: August 2021

Picric acid, due to its low pKa value, possesses distinct physicochemical features from all other nitroaromatic derivatives, enabling the design of fluorescent probes for its sensitive and selective detection.
Recent advances in radiation detection technologies enabled by metal-halide perovskites
Authors: Yang Tiebin , Li Feng , Zheng Rongkun
Published: August 2021

Perovskite halides hold great potential for high-energy radiation detection. Recent advancements in detecting alpha-, beta-, X-, and gamma-rays by perovskite halides are reviewed and an outlook on the device performance optimization is provided.
Explosive molecule sensing at lattice defect sites in metallic carbon nanotubes
Authors: Doshi Manasi , Fahrenthold Eric P.
Published: August 2021

Adsorption of a TNT molecule at a divacancy defect on a metallic single walled carbon nanotube. Carbon atoms corresponding to the defect are highlighted in green.
Flavin-adenine-dinucleotide gold complex nanoparticles: chemical modeling design, physico-chemical assessment and perspectives in nanomedicine
Authors: Arib Celia , Bouchemal Nadia , Barile Maria , Paleni Didier , Djaker Nadia , Dupont Nathalie , Spadavecchia Jolanda
Published: August 2021

Flavin-adenine-dinucleotide gold complex nanoparticles: from modeling design (A) to schematic hypothesis of intercalation between DNA strands (B).
La(CH2C6H4NMe2-o)3-catalyzed reduction of esters to alcohols with pinacolborane
Authors: Zhang Fangcao , Gong Mingliang , Xie Hongzhen , Luo Yunjie
Published: August 2021

La(CH2C6H4NMe2-o)3/HBpin is an efficient catalytic system for the hydroborative reduction of esters to alcohols under mild conditions.
Dissociate transfer exchange of tandem dynamic bonds endows covalent adaptable networks with fast reprocessability and high performance
Authors: Xu Xiwei , Ma Songqi , Feng Hongzhi , Qiu Jianfan , Wang Sheng , Yu Zhen , Zhu Jin
Published: August 2021

A covalent adaptable network combining continuous reprocessability and high performance was achieved via dissociate transfer exchange (DTE) of tandem dynamic bonds.
In situ determination of the interplay of the structure and domain under a subcoercive field in BiScO3–PbTiO3
Authors: Fan Longlong , Zhang Linxing , Liu Hui , Chen Yu-sheng , Ren Yang , Xing Xianran , Chen Jun
Published: August 2021

The existence of bridging domains in the vicinity of morphotropic phase boundaries brings an insight into the interplay of phase and domain and explains the excellent piezoelectric performance.
A data-driven approach to predicting band gap, excitation, and emission energies for Eu2+-activated phosphors
Authors: Park Chaewon , Lee Jin-Woong , Kim Minseuk , Lee Byung Do , Singh Satendra Pal , Park Woon Bae , Sohn Kee-Sun
Published: August 2021

An integrated ML model platform is developed to predict the peak emission wavelength (PEW), excitation band edge wavelength (EBEW), and band gap (Eg) from structural, elemental, chemical, and physical descriptors of Eu2+-activated phosphors.
β-Cyclodextrin functionalized 3D reduced graphene oxide composite-based electrochemical sensor for the sensitive detection of dopamine
Authors: Chen Xuan , Li Na , Rong Yanqin , Hou Yuli , Huang Yu , Liang Wenting
Published: August 2021

A 3D-rGO/β-CD nanocomposite was successfully synthesized and further modified onto the surface of GCE to construct a new biosensor for electrochemically sensing DA.
Green synthesis of gold nanoparticles using an antiepileptic plant extract: in vitro biological and photo-catalytic activities
Authors: Boruah Jayanta S. , Devi Chayanika , Hazarika Upasana , Bhaskar Reddy P. Vijaya , Chowdhury Devasish , Barthakur Manash , Kalita Pankaj
Published: August 2021

Gold nanoparticles are one of the widely used metallic nanoparticle having unique surface plasmon characteristic, offers major utility in biomedical and therapeutic fields.