bluuebunny/crossref_metadata_2025 huggingface dataset:
Changes in striatal dopamine release, sleep, and behavior during spontaneous Δ-9-tetrahydrocannabinol abstinence in male and female mice
Authors: Kesner Andrew J. , Mateo Yolanda , Abrahao Karina P. , Ramos-Maciel Stephanie , Pava Matthew J. , Gracias Alexa L. , Paulsen Riley T. , Carlson Hartley B. , Lovinger David M.
Published: April 2022

Withdrawal symptoms are observed upon cessation of cannabis use in humans. Although animal studies have examined withdrawal symptoms following exposure to delta-9-tetrahydrocannabinol (THC), difficulties in obtaining objective measures of spontaneous withdrawal using paradigms that mimic cessation of use in humans have slowed research. The neuromodulator dopamine (DA) is affected by chronic THC treatment and plays a role in many behaviors related to human THC withdrawal symptoms. These symptoms include sleep disturbances that often drive relapse, and emotional behaviors like irritability and anhedonia. We examined THC withdrawal-induced changes in striatal DA release and the extent to which sleep disruption and behavioral maladaptation manifest during abstinence in a mouse model of chronic THC exposure. Using a THC treatment regimen known to produce tolerance, we measured electrically elicited DA release in acute brain slices from different striatal subregions during early and late THC abstinence. Long-term polysomnographic recordings from mice were used to assess vigilance state and sleep architecture before, during, and after THC treatment. We additionally assessed how behaviors that model human withdrawal symptoms are altered by chronic THC treatment in early and late abstinence. We detected altered striatal DA release, sleep disturbances that mimic clinical observations, and behavioral maladaptation in mice following tolerance to THC. Altered striatal DA release, sleep, and affect-related behaviors associated with spontaneous THC abstinence were more consistently observed in male mice. These findings provide a foundation for preclinical study of directly translatable non-precipitated THC withdrawal symptoms and the neural mechanisms that affect them.
A high-resolution route map reveals distinct stages of chondrocyte dedifferentiation for cartilage regeneration
Authors: Chen Yishan , Yu Yeke , Wen Ya , Chen Juan , Lin Junxin , Sheng Zixuan , Zhou Wenyan , Sun Heng , An Chengrui , Chen Jiansong , Wu Weiliang , Teng Chong , Wei Wei , Ouyang Hongwei
Published: April 2022

Articular cartilage damage is a universal health problem. Despite recent progress, chondrocyte dedifferentiation has severely compromised the clinical outcomes of cell-based cartilage regeneration. Loss-of-function changes are frequently observed in chondrocyte expansion and other pathological conditions, but the characteristics and intermediate molecular mechanisms remain unclear. In this study, we demonstrate a time-lapse atlas of chondrocyte dedifferentiation to provide molecular details and informative biomarkers associated with clinical chondrocyte evaluation. We performed various assays, such as single-cell RNA sequencing (scRNA-seq), live-cell metabolic assays, and assays for transposase-accessible chromatin with high-throughput sequencing (ATAC-seq), to develop a biphasic dedifferentiation model consisting of early and late dedifferentiation stages. Early-stage chondrocytes exhibited a glycolytic phenotype with increased expression of genes involved in metabolism and antioxidation, whereas late-stage chondrocytes exhibited ultrastructural changes involving mitochondrial damage and stress-associated chromatin remodeling. Using the chemical inhibitor BTB06584, we revealed that early and late dedifferentiated chondrocytes possessed distinct recovery potentials from functional phenotype loss. Notably, this two-stage transition was also validated in human chondrocytes. An image-based approach was established for clinical use to efficiently predict chondrocyte plasticity using stage-specific biomarkers. Overall, this study lays a foundation to improve the quality of chondrocytes in clinical use and provides deep insights into chondrocyte dedifferentiation.
Bone morphogenetic protein 4 alleviates nonalcoholic steatohepatitis by inhibiting hepatic ferroptosis
Authors: Wang Xingchun , Ma Bingwei , Wen Xin , You Hui , Sheng Chunjun , Bu Le , Qu Shen
Published: April 2022

Nonalcoholic steatohepatitis (NASH) is a state of simple steatosis that progresses to inflammation and liver injury accompanied by ferroptosis. Bone morphogenetic protein 4 (BMP4) plays an important role in adipogenesis and differentiation, as well as in hepatic steatosis and iron regulation. However, the direct impact of BMP4 on NASH remains unclear. In this study, our aim was to investigate the effect of BMP4 on NASH and its underlying mechanism. We first explored BMP4 expression in vivo in mice and patients and in vitro in HepG2 and LO2 cell lines, and then, determined whether ferroptosis occurs in NASH. Further overexpression or inhibition of BMP4 was induced to observe the effect of BMP4 on liver ferroptosis in NASH. BMP4 expression was upregulated in patients and mice with nonalcoholic fatty liver disease, and free fatty acid (FFA)-induced HepG2 and LO2 cell lines. We observed ferroptosis in high-fat diet and high-fructose diet-fed mice and FFA-induced HepG2 and LO2 cell lines. BMP4 overexpressing plasmid was constructed and the HepG2 and LO2 cells were transfected with lentivirus (oe-BMP4), or treated with exogenously added recombinant human BMP4 or BMP antagonist noggin. BMP4 suppressed the markers of hepatic steatosis, liver inflammation, and liver injury. Upregulated BMP4 expression in HepG2 and LO2 cells reduced reactive oxygen species and malondialdehyde content and relieved ferroptosis. Mechanistically, BMP4 overexpression in hepatocytes upregulated the mRNA and protein levels of glutathione peroxidase 4 (GPX4), a central regulator of ferroptosis, while exogenous inhibition of BMP4 by noggin decreased their levels. Immunoprecipitation assays demonstrated a physical interaction between BMP4 and GPX4 in HepG2 and LO2 cells, and confocal imaging confirmed colocalization of BMP4 and GPX4. Consistently, BMP4 overexpression plays an important role in NASH by increasing GPX4 expression, therefore decreasing hepatic ferroptosis. This study proposes BMP4 as a therapeutic target for preventing steatohepatitis.
Mechanisms of fungal community assembly in wild stoneflies moderated by host characteristics and local environment
Authors: Zhu Yu-Xi , Huo Qing-Bo , Wen Tao , Wang Xin-Yu , Zhao Meng-Yuan , Du Yu-Zhou
Published: April 2022

Deterministic and stochastic forces both drive microbiota assembly in animals, yet their relative contribution remains elusive, especially in wild aquatic-insect-associated fungal communities. Here, we applied amplicon sequencing to survey the assembly mechanisms of the fungal community in 155 wild stonefly individuals involving 44 species of 20 genera within eight families collected from multiple locations in China. Analysis showed that fungal diversity and network complexity differed significantly among the eight stonefly families, and that the fungal communities in stoneflies exhibited a significant distance-decay pattern across large spatial scales. Both a structural equation model and variance partitioning analysis revealed that environmental factors (e.g., geographical, climatic) outweigh host attributes in shaping the fungal community of stoneflies. Using neutral and null model analyses, we also find that deterministic processes play a larger role than stochasticity in driving the fungal community assembly. However, the relative contribution of ecological processes including dispersal, drift, and selection, varied strongly with host taxonomy. Furthermore, environmental conditions also significantly affect the strength of these ecological processes. Overall, our findings illustrate that variations in host attributes and environment factors may moderate the relative influence of deterministic and stochastic processes to fungal community composition in wild stoneflies, which provides new insights into mechanisms of microbial community assembly in aquatic arthropods.
Microbiologically influenced corrosion of steel in coastal surface seawater contaminated by crude oil
Authors: Zhang Yimeng , Zhai Xiaofan , Guan Fang , Dong Xucheng , Sun Jiawen , Zhang Ruiyong , Duan Jizhou , Zhang Binbin , Hou Baorong
Published: April 2022

Petroleum-hydrocarbons spilt in surface seawater may pose potential threats to the corrosion of steel infrastructures. We show that crude oil accelerated steel corrosion mainly by accelerating microbiologically influenced corrosion (MIC). Crude oil led to the dominance of marine oil-degraders including Alcanivorax and Marinobacter in both seawater and steel rust, rather than sulfate-reducing bacteria (SRB) which dominated the rust microbial community in the no-oil group. Crude oil not only enhanced microbial oxygen respiration and aerobic hydrocarbon degradation but also nitrate reduction and anaerobic hydrocarbon degradation process in steel rust, indicating more heterogeneous microenvironments formed on steel surfaces. Furthermore, the low abundance of SRB and dissimilatory sulfate reduction gene (dsr), and the existence of iron-carbonate and iron-sulfate minerals implied that microbial sulfide, previously regarded as the main cause of MIC, was not the major contributor to steel corrosion in early petroleum-polluted seawater. Marine specialized oil-degraders seem to play more significant roles under such conditions.
Catalytic synthesis of phenols with nitrous oxide
Authors: Le Vaillant Franck , Mateos Calbet Ana , González-Pelayo Silvia , Reijerse Edward J. , Ni Shengyang , Busch Julia , Cornella Josep
Published: April 2022

The development of catalytic chemical processes that enable the revalorization of nitrous oxide (N2O) is an attractive strategy to alleviate the environmental threat posed by its emissions1–6. Traditionally, N2O has been considered an inert molecule, intractable for organic chemists as an oxidant or O-atom transfer reagent, owing to the harsh conditions required for its activation (>150 °C, 50‒200 bar)7–11. Here we report an insertion of N2O into a Ni‒C bond under mild conditions (room temperature, 1.5–2 bar N2O), thus delivering valuable phenols and releasing benign N2. This fundamentally distinct organometallic C‒O bond-forming step differs from the current strategies based on reductive elimination and enables an alternative catalytic approach for the conversion of aryl halides to phenols. The process was rendered catalytic by means of a bipyridine-based ligands for the Ni centre. The method is robust, mild and highly selective, able to accommodate base-sensitive functionalities as well as permitting phenol synthesis from densely functionalized aryl halides. Although this protocol does not provide a solution to the mitigation of N2O emissions, it represents a reactivity blueprint for the mild revalorization of abundant N2O as an O source.
Tackling psychosocial and capital constraints to alleviate poverty
Authors: Bossuroy Thomas , Goldstein Markus , Karimou Bassirou , Karlan Dean , Kazianga Harounan , Parienté William , Premand Patrick , Thomas Catherine C. , Udry Christopher , Vaillant Julia , Wright Kelsey A.
Published: April 2022

Many policies attempt to help extremely poor households build sustainable sources of income. Although economic interventions have predominated historically1,2, psychosocial support has attracted substantial interest3–5, particularly for its potential cost-effectiveness. Recent evidence has shown that multi-faceted ‘graduation’ programmes can succeed in generating sustained changes6,7. Here we show that a multi-faceted intervention can open pathways out of extreme poverty by relaxing capital and psychosocial constraints. We conducted a four-arm randomized evaluation among extremely poor female beneficiaries already enrolled in a national cash transfer government programme in Niger. The three treatment arms included group savings promotion, coaching and entrepreneurship training, and then added either a lump-sum cash grant, psychosocial interventions, or both the cash grant and psychosocial interventions. All three arms generated positive effects on economic outcomes and psychosocial well-being, but there were notable differences in the pathways and the timing of effects. Overall, the arms with psychosocial interventions were the most cost-effective, highlighting the value of including well-designed psychosocial components in government-led multi-faceted interventions for the extreme poor.
Reversible RNA phosphorylation stabilizes tRNA for cellular thermotolerance
Authors: Ohira Takayuki , Minowa Keiichi , Sugiyama Kei , Yamashita Seisuke , Sakaguchi Yuriko , Miyauchi Kenjyo , Noguchi Ryo , Kaneko Akira , Orita Izumi , Fukui Toshiaki , Tomita Kozo , Suzuki Tsutomu
Published: April 2022

Post-transcriptional modifications have critical roles in tRNA stability and function1–4. In thermophiles, tRNAs are heavily modified to maintain their thermal stability under extreme growth temperatures5,6. Here we identified 2′-phosphouridine (Up) at position 47 of tRNAs from thermophilic archaea. Up47 confers thermal stability and nuclease resistance to tRNAs. Atomic structures of native archaeal tRNA showed a unique metastable core structure stabilized by Up47. The 2′-phosphate of Up47 protrudes from the tRNA core and prevents backbone rotation during thermal denaturation. In addition, we identified thearkIgene, which encodes an archaeal RNA kinase responsible for Up47 formation. Structural studies showed that ArkI has a non-canonical kinase motif surrounded by a positively charged patch for tRNA binding. A knockout strain ofarkIgrew slowly at high temperatures and exhibited a synthetic growth defect when a second tRNA-modifying enzyme was depleted. We also identified an archaeal homologue of KptA as an eraser that efficiently dephosphorylates Up47 in vitro and in vivo. Taken together, our findings show that Up47 is a reversible RNA modification mediated by ArkI and KptA that fine-tunes the structural rigidity of tRNAs under extreme environmental conditions.
Superoxide dismutase 6 is required during metamorphosis for the development of properly movable legs in Tribolium castaneum
Authors: Nishiko Maaya , Sakamoto Takuma , Mun Seulgi , Noh Mi Young , Arakane Yasuyuki , Kanost Michael R. , Arai Katsuhiko , Tabunoki Hiroko
Published: April 2022

The body form of holometabolous insects dramatically transforms from larval to adult stages during metamorphosis that occurs in the pupal stage. The larval disorganization and then new adult tissues are built up at this time. In motoneuron, larval neuronal cells degenerate, and new adult neurons are remodeled. Finally, adult neurons reconnect to new adult muscles. However, the factors that control metamorphosis have not yet been fully elucidated. Here, we show that an antioxidant enzyme, Tribolium castaneum superoxide dismutase 6 (TcSOD6), is secreted into the haemolymph and is required for proper movable legs during metamorphosis. TcSOD6 has a unique domain architecture and is mainly expressed in the pupal stage. The depletion of TcSOD6 expression in the pupa inhibits normal axon development and results in adults that display dysfunctional leg motions, suggesting that SOD6 expression is required for the development of properly movable legs. Therefore, we speculate that TcSOD6 might participate in some of the processes for larval neurons to be remodelled to new adult functions in the legs during metamorphosis, providing new insight into the evolution of SOD functions.
Robot touch with speech boosts positive emotions
Authors: Sawabe Taishi , Honda Suguru , Sato Wataru , Ishikura Tomoki , Kanbara Masayuki , Yoshikawa Sakiko , Fujimoto Yuichiro , Kato Hirokazu
Published: April 2022

A gentle touch is an essential part of human interaction that produces a positive care effect. Previously, robotics studies have shown that robots can reproduce a gentle touch that elicits similar, positive emotional responses in humans. However, whether the positive emotional effects of a robot’s touch combined with speech can be enhanced using a multimodal approach remains unclear. This study supports the hypothesis that a multimodal interaction combining gentle touch and speech by a robot enhances positive emotional responses. Here, we conducted an experiment using a robotic arm to perform a gentle touch combined with speech and compared three conditions: touch alone, speech alone, and touch with speech. We assessed participants’ subjective ratings of valence, arousal, and human likeliness using subjective emotional responses. Furthermore, we recorded facial electromyography (EMG) from the corrugator supercilii and zygomaticus major muscles and measured skin conductance levels (SCLs) as physiological emotional responses. Our results show that touch combined with speech elicited higher subjective valence and arousal ratings, stronger zygomaticus major EMG and SCL activities than touch alone. The results suggest that the positive emotional effects of robotic touch can be boosted by combining elements of speech.
Integrated analysis of transcriptomic data reveals the platelet response in COVID-19 disease
Authors: Garma Leonardo D. , Deng Hansen , Goldschmidt Ezequiel
Published: April 2022

COVID-19 is associated with an increased risk of thrombotic events. However, the pathogenesis of these complications is unclear and reports on platelet infection and activation by the virus are conflicting. Here, we integrated single-cell transcriptomic data to elucidate whether platelet activation is a specific response to SARS-CoV-2 infection or a consequence of a generalized inflammatory state. Although platelets from patients infected with SARS-CoV-2 over expressed genes involved in activation and aggregation when compared to healthy controls; those differences disappeared when the comparison was made with patients with generalized inflammatory conditions of other etiology than COVID-19. The membrane receptor for the virus, ACE-2, was not expressed by infected or control platelets. Our results suggest that platelet activation in patients with severe COVID-19 is mainly a consequence of a systemic inflammatory state than direct invasion and activation.
Quantum transport on honeycomb networks
Authors: Maquiné Batalha Geyson , Volta Antonio , Strunz Walter T. , Galiceanu Mircea
Published: April 2022

We study the transport properties on honeycomb networks motivated by graphene structures by using the continuous-time quantum walk (CTQW) model. For various relevant topologies we consider the average return probability and its long-time average as measures for the transport efficiency. These quantities are fully determined by the eigenvalues and the eigenvectors of the connectivity matrix of the network. For all networks derived from graphene structures we notice a nontrivial interplay between good spreading and localization effects. Flat graphene with similar number of hexagons along both directions shows a decrease in transport efficiency compared to more one-dimensional structures. This loss can be overcome by increasing the number of layers, thus creating a graphite network, but it gets less efficient when rolling up the sheets so that a nanotube structure is considered. We found peculiar results for honeycomb networks constructed from square graphene, i.e. the same number of hexagons along both directions of the graphene sheet. For these kind of networks we encounter significant differences between networks with an even or odd number of hexagons along one of the axes.
Prevalence and effect of Plasmodium spp. and hookworm co-infection on malaria parasite density and haemoglobin level: a meta-analysis
Authors: Mahittikorn Aongart , Masangkay Frederick Ramirez , De Jesus Milanez Giovanni , Kuraeiad Saruda , Kotepui Manas
Published: April 2022

The dual effects of co-infection of Plasmodium spp. and hookworm on malaria remain under debate. This study investigated prevalence, prevalence odds ratio (POR) of co-infection and impact of co-infection on malaria parasite density and haemoglobin levels in comparison to Plasmodium mono-infection. The protocol for this systematic review and meta-analysis is registered at PROPERO under ID: CRD42020202156. Relevant literatures were obtained from PubMed, ISI Web of Science, and Scopus on 25 December 2020. Mean difference (MD) and confidence interval (CI) of malaria parasite density and haemoglobin were compared using a random effect model. Heterogeneity was assessed using Cochrane Q and I2 statistics. Publication bias was determined by visualising funnel plot asymmetry. Of 1756 articles examined, 22,191 malaria cases across 37 studies included 6096 cases of co-infection of Plasmodium spp. and hookworm. The pooled prevalence was 20% (95% CI 15–26%, I2 99.6%, 37 studies) and was varied in terms of geographical region. Co-infection occurred by chance (OR 0.97, p 0.97, 95% CI 0.73–1.27, I2 95%, 30 studies). The mean malaria parasite density for co-infection (478 cases) was similar to Plasmodium mono-infection (920 cases) (p 0.24, MD 0.86, 95% CI − 0.58–2.29, I2 100%, 7 studies). The mean haemoglobin level for co-infection (90 cases) was similar to Plasmodium mono-infection (415 cases) (p 0.15, MD − 0.63, 95% CI − 1.49–0.23, I2 98%, 4 studies). Co-infection was common and occurred by chance but varied by geographic region. Further studies are required to investigate the mechanism of hookworm infection on malaria severity. Additionally, detection of hookworm infections among patients with malaria in endemic areas of both diseases is recommended to prevent severe malaria.
Intravascular polarization-sensitive optical coherence tomography based on polarization mode delay
Authors: Li Yan , Moon Sucbei , Jiang Yuchen , Qiu Saijun , Chen Zhongping
Published: April 2022

Intravascular polarization-sensitive optical coherence tomography (IV-PSOCT) provides depth-resolved tissue birefringence which can be used to evaluate the mechanical stability of a plaque. In our previous study, we reported a new strategy to construct polarization-sensitive optical coherence tomography in a microscope platform. Here, we demonstrated that this technology can be implemented in an endoscope platform, which has many clinical applications. A conventional intravascular OCT system can be modified for IV-PSOCT by introducing a 12-m polarization-maintaining fiber-based imaging probe. Its two polarization modes separately produce OCT images of polarization detection channels spatially distinguished by an image separation of 2.7 mm. We experimentally validated our IV-PSOCT with chicken tendon, chicken breast, and coronary artery as the image samples. We found that the birefringent properties can be successfully visualized by our IV-PSOCT.
Accurate inference of crowdsourcing properties when using efficient allocation strategies
Authors: Hotaling Abigail , Bagrow James
Published: April 2022

Allocation strategies improve the efficiency of crowdsourcing by decreasing the work needed to complete individual tasks accurately. However, these algorithms introduce bias by preferentially allocating workers onto easy tasks, leading to sets of completed tasks that are no longer representative of all tasks. This bias challenges inference of problem-wide properties such as typical task difficulty or crowd properties such as worker completion times, important information that goes beyond the crowd responses themselves. Here we study inference about problem properties when using an allocation algorithm to improve crowd efficiency. We introduce Decision-Explicit Probability Sampling (DEPS), a novel method to perform inference of problem properties while accounting for the potential bias introduced by an allocation strategy. Experiments on real and synthetic crowdsourcing data show that DEPS outperforms baseline inference methods while still leveraging the efficiency gains of the allocation method. The ability to perform accurate inference of general properties when using non-representative data allows crowdsourcers to extract more knowledge out of a given crowdsourced dataset.
Second-trimester serum high mobility group box-1 and uterine artery Doppler to predict preeclampsia
Authors: Wairachpanich Varangkana , Phupong Vorapong
Published: April 2022

The objective of this study was to identify the predictive value for preeclampsia of second-trimester serum high mobility group box-1 (HMGB1) and uterine artery Doppler in singleton pregnancies. Between April 2020 and April 2021, a prospective study was conducted on singleton pregnancies with a gestational age of 16–20+6 weeks at King Chulalongkorn Memorial Hospital, Department of Obstetrics and Gynecology, Faculty of Medicine, Chulalongkorn University, Bangkok, Thailand. Maternal characteristics, uterine artery Doppler, and serum HMGB1 were collected. Serum HMGB1 levels and mean uterine artery pulsatility index (UAPI) were combined to calculate the predictive value for preeclampsia. A total of 393 pregnant women were analyzed, with 25 cases (6.4%) developing preeclampsia and 5 cases (1.3%) developing early-onset preeclampsia. Baseline characteristics of preeclampsia and normal pregnant women were comparable. Preeclamptic pregnant women had significantly higher mean serum HMGB1 levels than normal pregnant women (1112.8 ± 363.1 ng/mL vs 910.8 ± 486.1 ng/mL, p = 0.013). There was no difference in the mean UAPI. Any early-diastolic notching was found more frequently in the preeclampsia group (32.0% vs 12.5%, p = 0.013). The cut-off value for serum HMGB1 levels above 1.04 MoM as abnormal value to predict preeclampsia had sensitivity, specificity, positive predictive value (PPV) and negative predictive value (NPV) of 88.0%, 53.5%, 11.4% and 98.5%, respectively. When using abnormal serum HMGB1 levels combined with mean UAPI above 95th percentile, the sensitivity, specificity, PPV and NPV to predict preeclampsia were 88.0%, 50.8%, 10.8% and 98.4%, respectively. This study showed that serum HMGB1 at 16–20+6 weeks of gestation were effective in predicting preeclampsia. The addition of UAPI did not improve the prediction performance.
Comprehensive human amniotic fluid metagenomics supports the sterile womb hypothesis
Authors: Wang HanChen , Yang Gui Xiang , Hu Yuxiang , Lam Patricia , Sangha Karan , Siciliano Dawn , Swenerton Anne , Miller Ruth , Tilley Peter , Von Dadelszen Peter , Kalyan Shirin , Tang Patrick , Patel Millan S.
Published: April 2022

As metagenomic approaches for detecting infectious agents have improved, each tissue that was once thought to be sterile has been found to harbor a variety of microorganisms. Controversy still exists over the status of amniotic fluid, which is part of an immunologically privileged zone that is required to prevent maternal immune system rejection of the fetus. Due to this privilege, the exclusion of microbes has been proposed to be mandatory, leading to the sterile womb hypothesis. Since nucleic acid yields from amniotic fluid are very low, contaminating nucleic acid found in water, reagents and the laboratory environment frequently confound attempts to address this hypothesis. Here we present metagenomic criteria for microorganism detection and a metagenomic method able to be performed with small volumes of starting material, while controlling for exogenous contamination, to circumvent these and other pitfalls. We use this method to show that human mid-gestational amniotic fluid has no detectable virome or microbiome, supporting the sterile womb hypothesis.
Phytochemical analysis reveals an antioxidant defense response in Lonicera japonica to cadmium-induced oxidative stress
Authors: Li Chengcheng , Tang Yi , Gu Fengwu , Wang Xiaoqian , Yang Wei , Han Yang , Ruan Yanan
Published: April 2022

Cadmium (Cd), though potentially beneficial at lower levels to some plant species, at higher levels is a toxic metal that is detrimental to plant growth and development. Cd is also a carcinogen to humans and other contaminated plant consumers, affecting the kidneys and reducing bone strength. In this study we investigated responses of growth, chlorophyll content, reactive oxygen species levels, and antioxidant responses to Cd in honeysuckle leaves (Lonicera japonica Thunb.), a potential Cd hyperaccumulator. Results indicated that plant height, dry weight, leaf area, and chlorophyll content increased when honeysuckle was exposed to 10 mg kg−1 or 30 mg kg−1 Cd (low concentration). However, in response to 150 mg kg−1 or 200 mg kg−1 Cd (high concentration) these growth parameters and chlorophyll content significantly decreased relative to untreated control plant groups. Higher levels of superoxide radical (O2·−) and hydrogen peroxide (H2O2) were observed in high concentration Cd groups. The activities of ascorbate peroxidase (APX), monodehydroascorbate reductase (MDHAR), dehydroascorbate reductase (DHAR), and glutathione reductase were enhanced with exposure to increasing levels of Cd. Additionally, the Ascorbate–Glutathione (AsA–GSH) cycle was activated for the removal of H2O2 in honeysuckle in response to elevated Cd. The Pearson correlation analysis, a redundancy analysis, and a permutation test indicated that proline and APX were dominant antioxidants for removing O2·− and H2O2. The antioxidants GSH and non-protein thiols (NPTs) also increased as the concentration of Cd increased.
Differential expression of an endogenous retroviral element [HERV-K(HML-6)] is associated with reduced survival in glioblastoma patients
Authors: Shah Ashish H. , Govindarajan Vaidya , Doucet-O’Hare Tara T. , Rivas Sarah , Ampie Leo , DeMarino Catherine , Banasavadi-Siddegowda Yeshavanth Kumar , Zhang Yong , Johnson Kory R. , Almsned Fahad , Gilbert Mark R. , Heiss John D. , Nath Avindra
Published: April 2022

Comprising approximately 8% of our genome, Human Endogenous RetroViruses (HERVs) represent a class of germline retroviral infections that are regulated through epigenetic modifications. In cancer cells, which often have epigenetic dysregulation, HERVs have been implicated as potential oncogenic drivers. However, their role in gliomas is not known. Given the link between HERV expression in cancer cell lines and the distinct epigenetic dysregulation in gliomas, we utilized a tailored bioinformatic pipeline to characterize and validate the glioma retrotranscriptome and correlate HERV expression with locus-specific epigenetic modifications. We identified robust overexpression of multiple HERVs in our cell lines, including a retroviral transcript, HML-6, at 19q13.43b in glioblastoma cells. HERV expression inversely correlated with loci-specific DNA methylation. HML-6 contains an intact open reading frame encoding a small envelope protein, ERVK3-1. Increased expression of ERVK3-1 in GBM patients is associated with a poor prognosis independent of IDH-mutational status. Our results suggest that not only is HML-6 uniquely overexpressed in highly invasive cell lines and tissue samples, but also its gene product, ERVK3-1, may be associated with reduced survival in GBM patients. These results may have implications for both the tumor biology of GBM and the role of ERVK3-1 as a potential therapeutic target.
Optimizing antiviral therapy for COVID-19 with learned pathogenic model
Authors: Dutta Abhishek
Published: April 2022

COVID-19 together with variants have caused an unprecedented amount of mental and economic turmoil with ever increasing fatality and no proven therapies in sight. The healthcare industry is racing to find a cure with multitude of clinical trials underway to access the efficacy of repurposed antivirals, however the much needed insights into the dynamics of pathogenesis of SARS-CoV-2 and corresponding pharmacology of antivirals are lacking. This paper introduces systematic pathological model learning of COVID-19 dynamics followed by derivative free optimization based multi objective drug rescheduling. The pathological model learnt from clinical data of severe COVID-19 patients treated with remdesivir could additionally predict immune T cells response and resulted in a dramatic reduction in remdesivir dose and schedule leading to lower toxicities, however maintaining a high virological efficacy.
Facile synthesis of low toxicity iron oxide/TiO2 nanocomposites with hyperthermic and photo-oxidation properties
Authors: Popescu Traian , Oktaviani Matei Christien , Culita Daniela Cristina , Maraloiu Valentin-Adrian , Rostas Arpad Mihai , Diamandescu Lucian , Iacob Nicusor , Savopol Tudor , Ilas Monica Cristiana , Feder Marcel , Lupu Andreea-Roxana , Iacoban Alexandra Corina , Vlaicu Ioana Dorina , Moisescu Mihaela Georgeta
Published: April 2022

The present study aimed to assess the feasibility of developing low-cost multipurpose iron oxide/TiO2 nanocomposites (NCs) for use in combined antitumor therapies and water treatment applications. Larger size (≈ 100 nm) iron oxide nanoparticles (IONPs) formed magnetic core-TiO2 shell structures at high Fe/Ti ratios and solid dispersions of IONPs embedded in TiO2 matrices when the Fe/Ti ratio was low. When the size of the iron phase was comparable to the size of the crystallized TiO2 nanoparticles (≈ 10 nm), the obtained nanocomposites consisted of randomly mixed aggregates of TiO2 and IONPs. The best inductive heating and ROS photogeneration properties were shown by the NCs synthesized at 400 °C which contained the minimum amount of α-Fe2O3 and sufficiently crystallized anatase TiO2. Their cytocompatibility was assessed on cultured human and murine fibroblast cells and analyzed in relation to the adsorption of bovine serum albumin from the culture medium onto their surface. The tested nanocomposites showed excellent cytocompatibility to human fibroblast cells. The results also indicated that the environment (i.e. phosphate buffer or culture medium) used to disperse the nanomaterials prior to performing the viability tests can have a significant impact on their cytotoxicity.
Separation, identification, and confirmation of cyclic and tadpole macromolecules via UPLC-MS/MS
Authors: O'Neill Jason M. , Mao Jialin , Haque Farihah M. , Barroso-Bujans Fabienne , Grayson Scott M. , Wesdemiotis Chrys
Published: April 2022

LC-MS/MS enables the separation and relative quantitation of cyclic and tadpole architectures of poly(glycidyl phenyl ether)s synthesized via ring-opening zwitterionic polymerization (ZREP).
Electrogenerated chemiluminescence of luminol at a boron-doped diamond electrode for the detection of hypochlorite
Authors: Rahmawati Isnaini , Saepudin Endang , Fiorani Andrea , Einaga Yasuaki , Ivandini Tribidasari A.
Published: April 2022

Electrogenerated chemiluminescence (ECL) of luminol at a boron-doped diamond electrode has been used for hypochlorite determination.
Highly catalysis amplification of MOFNd-loaded nanogold combined with specific aptamer SERS/RRS assay of trace glyphosate
Authors: Li Jingjing , Shi Jinling , Liang Aihui , Jiang Zhiliang
Published: April 2022

A novel SERS/RRS di-mode quantitative analysis method for glyphosate was established by coupling this new Au@MOFNd catalytic indicator reaction with the aptamer reaction of GLY.
Stabilization of VOPO4·2H2O voltage and capacity retention in aqueous zinc batteries with a hydrogen bond regulator
Authors: Jia Zhongqiu , Yang Xianpeng , Shi Hua-Yu , Hu Shouyan , Sun Xiaoqi
Published: April 2022

The decomposition of the VOPO4·2H2O cathode material in aqueous zinc batteries is inhibited by a hydrogen bond regulator to suppress water activity.
TfOH-catalyzed regioselective N2-alkylation of indazoles with diazo compounds
Authors: He Hangli , Yan Jingyu , Jin Jingru , Yan Zhewei , Yan Qiongjiao , Wang Wei , Jiang Haipeng , Wang Haifeng , Chen Fener
Published: April 2022

A novel highly selective N2-alkylation of indazoles with diazo compounds is described in good to excellent yields with high regioselectivity (N2/N1 up to 100/0) and excellent functional group tolerance.
Chelation-activated ultralong room-temperature phosphorescence and thermo-/excitation-dependent persistent luminescence
Authors: Wu Siqin , Zhou Bo , Fang Xiaoyu , Yan Dongpeng
Published: April 2022

Chelation-activated tunable room-temperature phosphorescence in molecule-based metal complexes.
Formation of organic ion cocrystals, phase transition and ion conduction
Authors: Qian Yin , Wang Yi-Ming , Xu Lei , Yao Wan-Wan , Shao Dong-Sheng , Ren Xiao-Ming
Published: April 2022

Organic ionic plastic crystals (OIPCs) have been increasingly drawing attention recently owing to their many practical applications.
Isolation of elusive cyclobutane ligands via a template-assisted photochemical [2 + 2] cycloaddition reaction and their utility in engineering crystalline solids
Authors: Kole Goutam Kumar , Mir Mohammad Hedayetullah
Published: April 2022

Selective examples of isolation of pure cyclobutane compounds via solid-state photochemical reactions of cocrystals, and their utility in engineering crystalline solids are discussed.
Solid-source vapor growth and optoelectronic properties of arsenic-based layered group-IV monopnictides
Authors: Kagami Shu , Urakami Noriyuki , Suzuki Yuichiro , Hashimoto Yoshio
Published: April 2022

Rectangular SiAs and GeAs films were fabricated and PL at peak energies of 2.35 and 2.12 eV was obtained.
Tunable hybrid perovskites with a narrow bandgap and multistage phase transition properties: 2,2-difluoroethylamine·antimony hexabromide
Authors: Song Ning , Chen Shaopeng , Fan Xiaowei , Tan Yuhui , Tang Yunzhi , Wang Lijuan , Liao Juan , Sun Zhen
Published: April 2022

An organic–inorganic hybrid perovskite compound, [C6H18F6N3SbBr6] (1), with an excellent triple reversible phase transition, dielectric switching properties, and a narrow bandgap of 2.90 eV was synthesized.
Photoionization of the aqueous phase: clusters, droplets and liquid jets
Authors: Signorell Ruth , Winter Bernd
Published: April 2022

This perspective article reviews specific challenges associated with photoemission spectroscopy of bulk liquid water, aqueous solutions, water droplets and water clusters.
Molecular dynamic simulation of prenucleation of apatite at a type I collagen template: ion association and mineralization control
Authors: Xue Zhiyu , Wang Xin , Xu Dingguo
Published: April 2022

The early-stage nucleation mechanism of apatite assisted by type-I collagen in multi-ionic environment was explored using molecular dynamics and metadynamics approaches.
Why an integrated approach between search algorithms and chemical intuition is necessary?
Authors: Thimmakondu Venkatesan S. , Sinjari Aland , Inostroza Diego , Vairaprakash Pothiappan , Thirumoorthy Krishnan , Roy Saikat , Anoop Anakuthil , Tiznado William
Published: April 2022

Chemical intuition yields the second low-lying isomer after AUTOMATON found the global minimum and few other low-lying isomers.
Electronic structure and magnetic coupling in selenium substituted pyridine-bridged bisdithiazolyl multifunctional molecular materials
Authors: Roncero-Barrero Cristina , Ribas-Ariño Jordi , Deumal Mercè , Moreira Ibério de P. R.
Published: April 2022

The materials are described as magnetic semiconductors with complex magnetic topologies arising from a close packing of well-defined neutral paramagnetic molecular entities.
Offsets between hyperconjugations, p→d donations and Pauli repulsions impact the bonding of E–O–E systems. Case study on elements of Group 14
Authors: Moraru Ionut-Tudor , Teleanu Florin , Silaghi-Dumitrescu Luminita , Nemes Gabriela
Published: April 2022

The different structures of organic and inorganic ethers can be explained by a new bonding image based on offsets between secondary attractive interactions and vicinal Pauli repulsions, describing a wide range of E–O–E systems (E = C, Si, Ge, Sn).
Electronic structure of the ground and excited states of neutral and charged silicon hydrides, SiHx0/+/−, x = 1–4
Authors: Claveau Emily E. , Choi Yeseul , Adamczyk Andrew J. , Miliordos Evangelos
Published: April 2022

The ground and several excited electronic states of silicon hydrides are investigated quantum mechanically. Our results will elucidate the role of excited stated in the formation mechanism of silicon nanoparticles under plasma conditions.
Pressure-induced multi-step and self-organized spin states in an electro-elastic model for spin-crossover solids
Authors: Ndiaye Mamadou , Boukheddaden Kamel
Published: April 2022

Isotropic applied pressure inducing two-step transitions with labyrinth self-organized spin states in the intermediate plateau regions.
Electron-donating curved π-electronic systems that complex with buckyballs
Authors: Maeda Hiromitsu , Abiko Taichi , Haketa Yohei , Kobayashi Yoichi , Ishibashi Yukihide , Asahi Tsuyoshi , Yasuda Nobuhiro
Published: April 2022

Modified curved π-electronic systems, dipyrrolylbenzodiazepines, exhibited modulated electronic properties and assemblies, including C60complexation by a hydrogen-bonding cyclic hexamer, which induces solid-state photo-induced electron transfer.
In situ reconfiguration of plasma-engineered copper electrodes towards efficient electrocatalytic hydrogenation
Authors: Chen Peng , Zhang Wenbiao , Tan Jingwen , Yang Yang , Jia Yingshuai , Tang Yi , Gao Qingsheng
Published: April 2022

Defect engineering of Cu via O2-plasma is introduced to accomplish efficient electrocatalytic hydrogenation, in which the in situ reduction of CuOx to defective Cu promotes the kinetics.
NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces
Authors: Haghighatlari Mojtaba , Li Jie , Guan Xingyi , Zhang Oufan , Das Akshaya , Stein Christopher J. , Heidar-Zadeh Farnaz , Liu Meili , Head-Gordon Martin , Bertels Luke , Hao Hongxia , Leven Itai , Head-Gordon Teresa
Published: April 2022

We report a new deep learning message passing network that takes inspiration from Newton's equations of motion to learn interatomic potentials and forces.
Nitrogen-rich porous polymeric carbon nitride with enhanced photocatalytic activity for synergistic removal of organic and heavy metal pollutants
Authors: Li Xiangyang , Li Keyan , Du Jun , Pei Mengjiao , Song Chunshan , Guo Xinwen
Published: April 2022

Porous carbon nitride with rich amino defects shows excellent photocatalytic activity for synergistic removal of organic and heavy metal pollutants.
Ultrasonic-assisted oxidation of cellulose to oxalic acid over gold nanoparticles supported on iron-oxide
Authors: Amaniampong Prince Nana , Trinh Quang Thang , Bahry Teseer , Zhang Jia , Jérôme François
Published: April 2022

We demonstrate a catalytic base-free strategy for the selective oxidation of microcrystalline cellulose to oxalic acid (OA) by combining low frequency ultrasound as an unconventional activation technique and Au/Fe2O3 as a catalyst.
Synthesis of nucleoside-substituted carbonate and diol derivatives through the carbon dioxide reaction using polyionic liquid catalysts
Authors: Xu Gui-Qing , Ma Xue-Ning , Jia Xian-Bin , Dong Ya-Hao , Jiang Yu-Qin , Li Xin-Juan
Published: April 2022

Under the combined action of water and polyionic liquids, nucleoside drug intermediates was synthesized through CO2 conversion.
Green assessment of polymer microparticles production processes: a critical review
Authors: El Itawi Hassan , Fadlallah Sami , Allais Florent , Perré Patrick
Published: April 2022

The sustainability of polymer microparticle production processes was evaluated. A different viewpoint was provided to encourage researchers to use simple yet effective green chemistry metrics calculations in the development of these processes.
Evaluation of compositional micro-homogeneity in MOX fuels using lab based μ-XRF spectrometry
Authors: Sanyal Kaushik , Kanrar Buddhadev , Dhara Sangita , Pai Rajesh V.
Published: April 2022

Direct non-destructive evaluation of micro-homogeneity and agglomerate sizes (red zones) in nuclear fuel pellets prepared via different fabrication routes using μ-XRF.
Accurate and precise determination of the boron isotope ratio by QQQ-ICP-MS: application to natural waters and carbonates
Authors: Chanakya I. V. Satya , Misra Sambuddha
Published: April 2022

This is a novel method for precise determination of the boron isotope ratio by QQQ-ICP-MS at a nanogram level of boron.
High precision analysis of stable potassium (K) isotopes by the collision cell MC-ICP-MS “Sapphire” and a correction method for concentration mismatch
Authors: Zheng Xin-Yuan , Chen Xin-Yang , Ding Weiming , Zhang Yuchi , Charin Soisiri , Gérard Yvan
Published: April 2022

A robust correction method is developed to significantly improve stable potassium isotope ratio measurement on a “Sapphire” collision-cell MC-ICP-MS.
Microwave heating followed by a solvothermal method to synthesize nickel–cobalt selenide/rGO for high-performance supercapacitors
Authors: Zhou Tianli , Tang Shuihua , Yu Honglin , Shen Lieha , Huang Qiankuan , Yang Shuang , Yu Limei , Zhang Lei
Published: April 2022

Efficient microwave heating followed by a solvothermal method is used to synthesize (Ni0.85Se)3(Co0.85Se)/rGO nanorods with an ultrahigh specific capacitance of 2009 F g−1at a current density of 2 A g−1.
High-efficiency activation of the C–H bond to synthesize p-methoxy benzaldehyde over a MnO2/CNT/Gr catalyst
Authors: Wu Yi , Tang Mengyi , Zhong Yan , Guo Zhenlong , Li Kexin , Yang Youdi , Li Qiang
Published: April 2022

The selective oxidation of C(sp3)–H was achieved by the MnO2/CNTs/Gr electrocatalyst: 81.03% faradaic efficiency and 82.73% selectivity of p-methoxy benzaldehyde were obtained.
A study of drug candidates derived from pleconaril for inhibiting coxsackievirus B3 (Cvb3) by ADMET, molecular docking, molecular dynamics and retrosynthesis
Authors: Moukhliss Youness , Koubi Yassine , Alaqarbeh Marwa , Alsakhen Nada , Hamzeh Samer , Maghat Hamid , Sbai Abdelouahid , Bouachrine Mohammed , Lakhlifi Tahar
Published: April 2022

In the light of the serious diseases attributed to it, there is an urgent and inescapable need to hunt for antiviral medications for Coxsackievirus B3 (CVB3).
Optimized molecular design of PET probe for the visualization of γ-glutamyltranspeptidase activity in tumors
Authors: Wang Xiuting , Gao Dingyao , Lu Chunmei , Xie Minhao , Lin Jianguo , Qiu Ling
Published: April 2022

A fluorine-18 labeled probe [18F]JM-10 was rationally designed and optimized, which can self-assemble to generate more rigid and hydrophobic dimers upon response to γ-glutamyltranspeptidase (GGT) and glutathione (GSH) in tumor cells.
Remote-controllable and encryptable smart glasses: a photoresponsive azobenzene molecular commander determines the molecular alignments of liquid crystal soldiers
Authors: Rim Minwoo , Kang Dong-Gue , Jung Dayoung , Lim Seok-In , Lee Kyung Min , Godman Nicholas P. , McConney Michael E. , De Sio Luciano , Ahn Suk-kyun , Jeong Kwang-Un
Published: April 2022

A newly developed LC command system can be used as a secret pattern indicator. Encrypted military operation is deciphered by adjusting the polarizer configuration.
Decarbonylative/decarboxylative [4 + 2] annulation of phthalic anhydrides and cyclic iodoniums towards triphenylenes
Authors: Huang Lingyu , Xie Rongrong , Wen Chaoying , Yang Yanyan , Wang Yiwen , Ren Shiyan , Huang Bin , Li Shiqing
Published: April 2022

A palladium-catalyzed decarbonylative/decarboxylative annulation of phthalic anhydrides with cyclic diaryliodonium salts to synthesize triphenylenes has been developed.
Structural and magnetic studies of six-coordinated Schiff base Dy(iii) complexes
Authors: Yu Shui , Hu Huancheng , Liu Dongcheng , Liang Yuning , Liang Fupei , Yin Bing , Chen Zilu
Published: April 2022

The tuning of slow magnetic relaxation of six-coordinated Dy(iii) complexes was achieved through chloride and bis-Schiff bases bearing different spacers.
Two-in-one template-assisted construction of hollow phosphide nanotubes for electrochemical energy storage
Authors: Han Leiyun , Liu Xilong , Cui Zheng , Chen Yang , Wang Zijia , Tang Yu , Hua Yingjie , Wang Chongtai , Xie Haijiao , Zhao Xudong , Liu Xiaoyang
Published: April 2022

Nickel-based phosphide hollow nanotubes were constructed using a template strategy. The introduction of PANI may lead to the formation of C–Ni bonds or C–Ni–P bonds at the electrode interface, which induces electron transfer and improves the electrochemical capacity.