bluuebunny/crossref_metadata_2025 huggingface dataset:
Neurocognitive profiles of 22q11.2 and 16p11.2 deletions and duplications
Authors: Gur Ruben C. , Bearden Carrie E. , Jacquemont Sebastien , Swillen Ann , van Amelsvoort Therese , van den Bree Marianne , Vorstman Jacob , Sebat Jonathan , Ruparel Kosha , Gallagher Robert Sean , McClellan Emily , White Lauren , Crowley Terrence Blaine , Giunta Victoria , Kushan Leila , O’Hora Kathleen , Verbesselt Jente , Vandensande Ans , Vingerhoets Claudia , van Haelst Mieke , Hall Jessica , Harwood Janet , Chawner Samuel J.R.A. , Patel Nishi , Palad Katrina , Hong Oanh , Guevara James , Martin Charles Olivier , Jizi Khadije , Bélanger Anne-Marie , Scherer Stephen W. , Bassett Anne S. , McDonald-McGinn Donna M. , Gur Raquel E.
Published: July 2024

Rare recurrent copy number variants (CNVs) at chromosomal loci 22q11.2 and 16p11.2 are genetic disorders with lifespan risk for neuropsychiatric disorders. Microdeletions and duplications are associated with neurocognitive deficits, yet few studies compared these groups using the same measures to address confounding measurement differences. We report a prospective international collaboration applying the same computerized neurocognitive assessment, the Penn Computerized Neurocognitive Battery (CNB), administered in a multi-site study on rare genomic disorders: 22q11.2 deletions (n = 492); 22q11.2 duplications (n = 106); 16p11.2 deletion (n = 117); and 16p11.2 duplications (n = 46). Domains examined include executive functions, episodic memory, complex cognition, social cognition, and psychomotor speed. Accuracy and speed for each domain were included as dependent measures in a mixed-model repeated measures analysis. Locus (22q11.2, 16p11.2) and Copy number (deletion/duplication) were grouping factors and Measure (accuracy, speed) and neurocognitive domain were repeated measures factors, with Sex and Site as covariates. We also examined correlation with IQ. We found a significant Locus × Copy number × Domain × Measure interaction (p = 0.0004). 22q11.2 deletions were associated with greater performance accuracy deficits than 22q11.2 duplications, while 16p11.2 duplications were associated with greater specific deficits than 16p11.2 deletions. Duplications at both loci were associated with reduced speed compared to deletions. Performance profiles differed among the groups with particularly poor memory performance of the 22q11.2 deletion group while the 16p11.2 duplication group had greatest deficits in complex cognition. Average accuracy on the CNB was moderately correlated with Full Scale IQ. Deletions and duplications of 22q11.2 and 16p11.2 have differential effects on accuracy and speed of neurocognition indicating locus specificity of performance profiles. These profile differences can help inform mechanistic substrates to heterogeneity in presentation and outcome, and can only be established in large-scale international consortia using the same neurocognitive assessment. Future studies could aim to link performance profiles to clinical features and brain function.
Pathophysiological role of ion channels and transporters in hepatocellular carcinoma
Authors: Zhang Li , Gu Hong , Li Xin , Wang Yongfeng , Yao Shun , Chen Xingyue , Zheng Liming , Yang Xingyue , Du Qian , An Jiaxing , Wen Guorong , Zhu Jiaxing , Jin Hai , Tuo Biguang
Published: July 2024

The incidence of hepatocellular carcinoma (HCC) has continued to increase annually worldwide, and HCC has become a common cause of cancer-related death. Despite great progress in understanding the molecular mechanisms underlying HCC development, the treatment of HCC remains a considerable challenge. Thus, the survival and prognosis of HCC patients remain extremely poor. In recent years, the role of ion channels in the pathogenesis of diseases has become a hot topic. In normal liver tissue, ion channels and transporters maintain water and electrolyte balance and acid‒base homeostasis. However, dysfunction of these ion channels and transporters can lead to the development and progression of HCC, and thus these ion channels and transporters are expected to become new therapeutic targets. In this review, ion channels and transporters associated with HCC are reviewed, and potential targets for new and effective therapies are proposed.
MTGR1 is required to maintain small intestinal stem cell populations
Authors: Short Sarah P. , Brown Rachel E. , Chen Zhengyi , Pilat Jennifer M. , McElligott Bailey A. , Meenderink Leslie M. , Bickart Alexander C. , Blunt Koral M. , Jacobse Justin , Wang Jing , Simmons Alan J. , Xu Yanwen , Yang Yilin , Parang Bobak , Choksi Yash A. , Goettel Jeremy A. , Lau Ken S. , Hiebert Scott W. , Williams Christopher S.
Published: July 2024

Undifferentiated intestinal stem cells (ISCs) are crucial for maintaining homeostasis and resolving injury. Lgr5+ cells in the crypt base constantly divide, pushing daughter cells upward along the crypt axis where they differentiate into specialized cell types. Coordinated execution of complex transcriptional programs is necessary to allow for the maintenance of undifferentiated stem cells while permitting differentiation of the wide array of intestinal cells necessary for homeostasis. Previously, members of the myeloid translocation gene (MTG) family have been identified as transcriptional co-repressors that regulate stem cell maintenance and differentiation programs in multiple organ systems, including the intestine. One MTG family member, myeloid translocation gene related 1 (MTGR1), has been recognized as a crucial regulator of secretory cell differentiation and response to injury. However, whether MTGR1 contributes to the function of ISCs has not yet been examined. Here, using Mtgr1−/− mice, we have assessed the effects of MTGR1 loss specifically in ISC biology. Interestingly, loss of MTGR1 increased the total number of cells expressing Lgr5, the canonical marker of cycling ISCs, suggesting higher overall stem cell numbers. However, expanded transcriptomic and functional analyses revealed deficiencies in Mtgr1-null ISCs, including deregulated ISC-associated transcriptional programs. Ex vivo, intestinal organoids established from Mtgr1-null mice were unable to survive and expand due to aberrant differentiation and loss of stem and proliferative cells. Together, these results indicate that the role of MTGR1 in intestinal differentiation is likely stem cell intrinsic and identify a novel role for MTGR1 in maintaining ISC function.
Global, asynchronous partial sweeps at multiple insecticide resistance genes in Aedes mosquitoes
Authors: Schmidt Thomas L. , Endersby-Harshman Nancy M. , van Rooyen Anthony R. J. , Katusele Michelle , Vinit Rebecca , Robinson Leanne J. , Laman Moses , Karl Stephan , Hoffmann Ary A.
Published: July 2024

Aedes aegypti (yellow fever mosquito) and Ae. albopictus (Asian tiger mosquito) are globally invasive pests that confer the world’s dengue burden. Insecticide-based management has led to the evolution of insecticide resistance in both species, though the genetic architecture and geographical spread of resistance remains incompletely understood. This study investigates partial selective sweeps at resistance genes on two chromosomes and characterises their spread across populations. Sweeps at the voltage-sensitive sodium channel (VSSC) gene on chromosome 3 correspond to one resistance-associated nucleotide substitution in Ae. albopictus and three in Ae. aegypti, including two substitutions at the same nucleotide position (F1534C) that have evolved and spread independently. In Ae. aegypti, we also identify partial sweeps at a second locus on chromosome 2. This locus contains 15 glutathione S-transferase (GST) epsilon class genes with significant copy number variation among populations and where three distinct genetic backgrounds have spread across the Indo-Pacific region, the Americas, and Australia. Local geographical patterns and linkage networks indicate VSSC and GST backgrounds probably spread at different times and interact locally with different genes to produce resistance phenotypes. These findings highlight the rapid global spread of resistance and are evidence for the critical importance of GST genes in resistance evolution.
Gradient and curl optical torques
Authors: Xu Xiaohao , Nieto-Vesperinas Manuel , Zhou Yuan , Zhang Yanan , Li Manman , Rodríguez-Fortuño Francisco J. , Yan Shaohui , Yao Baoli
Published: July 2024

Optical forces and torques offer the route towards full degree-of-freedom manipulation of matter. Exploiting structured light has led to the discovery of gradient and curl forces, and nontrivial optomechanical manifestations, such as negative and lateral optical forces. Here, we uncover the existence of two fundamental torque components, which originate from the reactive helicity gradient and momentum curl of light, and which represent the rotational analogues to the gradient and curl forces, respectively. Based on the two components, we introduce and demonstrate the concept of lateral optical torques, which act transversely to the spin of illumination. The orbital angular momentum of vortex beams is shown to couple to the curl torque, promising a path to extreme torque enhancement or achieving negative optical torques. These results highlight the intersection between the areas of structured light, Mie-tronics and rotational optomechanics, even inspiring new paths of manipulation in acoustics and hydrodynamics.
Discovery of a long-ranged charge order with 1/4 Ge1-dimerization in an antiferromagnetic Kagome metal
Authors: Chen Ziyuan , Wu Xueliang , Zhou Shiming , Zhang Jiakang , Yin Ruotong , Li Yuanji , Li Mingzhe , Gong Jiashuo , He Mingquan , Chai Yisheng , Zhou Xiaoyuan , Wang Yilin , Wang Aifeng , Yan Ya-Jun , Feng Dong-Lai
Published: July 2024

Exotic quantum states arise from the interplay of various degrees of freedom such as charge, spin, orbital, and lattice. Recently, a short-ranged charge order (CO) was discovered deep inside the antiferromagnetic phase of Kagome magnet FeGe, exhibiting close relationships with magnetism. Despite extensive investigations, the CO mechanism remains controversial, mainly because the short-ranged behavior hinders precise identification of CO superstructure. Here, combining multiple experimental techniques, we report the observation of a long-ranged CO in high-quality FeGe samples, which is accompanied with a first-order structural transition. With these high-quality samples, the distorted 2 × 2 × 2 CO superstructure is characterized by a strong dimerization along the c-axis of 1/4 of Ge1-sites in Fe3Ge layers, and in response to that, the 2 × 2 in-plane charge modulations are induced. Moreover, we show that the previously reported short-ranged CO might be related to large occupational disorders at Ge1-site, which upsets the equilibrium of the CO state and the ideal 1 × 1 × 1 structure with very close energies, inducing nanoscale coexistence of these two phases. Our study provides important clues for further understanding the CO properties in FeGe and helps to identify the CO mechanism.
Cost-effectiveness of natural forest regeneration and plantations for climate mitigation
Authors: Busch Jonah , Bukoski Jacob J. , Cook-Patton Susan C. , Griscom Bronson , Kaczan David , Potts Matthew D. , Yi Yuanyuan , Vincent Jeffrey R.
Published: July 2024

Mitigating climate change cost-effectively requires identifying least-cost-per-ton GHG abatement methods. Here, we estimate and map GHG abatement cost (US$ per tCO2) for two common reforestation methods: natural regeneration and plantations. We do so by producing and integrating new maps of implementation costs and opportunity costs of reforestation, likely plantation genus and carbon accumulation by means of natural regeneration and plantations, accounting for storage in harvested wood products. We find natural regeneration (46%) and plantations (54%) would each have lower abatement cost across about half the area considered suitable for reforestation of 138 low- and middle-income countries. Using the more cost-effective method at each location, the 30 year, time-discounted abatement potential of reforestation below US$50 per tCO2 is 31.4 GtCO2 (24.2–34.3 GtCO2 below US$20–100 per tCO2)—44% more than natural regeneration alone or 39% more than plantations alone. We find that reforestation offers 10.3 (2.8) times more abatement below US$20 per tCO2 (US$50 per tCO2) than the most recent IPCC estimate.
Global net climate effects of anthropogenic reactive nitrogen
Authors: Gong Cheng , Tian Hanqin , Liao Hong , Pan Naiqing , Pan Shufen , Ito Akihiko , Jain Atul K. , Kou-Giesbrecht Sian , Joos Fortunat , Sun Qing , Shi Hao , Vuichard Nicolas , Zhu Qing , Peng Changhui , Maggi Federico , Tang Fiona H. M. , Zaehle Sönke
Published: July 2024

Anthropogenic activities have substantially enhanced the loadings of reactive nitrogen (Nr) in the Earth system since pre-industrial times1,2, contributing to widespread eutrophication and air pollution3–6. Increased Nr can also influence global climate through a variety of effects on atmospheric and land processes but the cumulative net climate effect is yet to be unravelled. Here we show that anthropogenic Nr causes a net negative direct radiative forcing of −0.34 [−0.20, −0.50] W m−2 in the year 2019 relative to the year 1850. This net cooling effect is the result of increased aerosol loading, reduced methane lifetime and increased terrestrial carbon sequestration associated with increases in anthropogenic Nr, which are not offset by the warming effects of enhanced atmospheric nitrous oxide and ozone. Future predictions using three representative scenarios show that this cooling effect may be weakened primarily as a result of reduced aerosol loading and increased lifetime of methane, whereas in particular N2O-induced warming will probably continue to increase under all scenarios. Our results indicate that future reductions in anthropogenic Nr to achieve environmental protection goals need to be accompanied by enhanced efforts to reduce anthropogenic greenhouse gas emissions to achieve climate change mitigation in line with the Paris Agreement.
In vivo interaction screening reveals liver-derived constraints to metastasis
Authors: Borrelli Costanza , Roberts Morgan , Eletto Davide , Hussherr Marie-Didiée , Fazilaty Hassan , Valenta Tomas , Lafzi Atefeh , Kretz Jonas A. , Guido Vinzoni Elena , Karakatsani Andromachi , Adivarahan Srivathsan , Mannhart Ardian , Kimura Shoichiro , Meijs Ab , Baccouche Mhamedi Farah , Acar Ilhan E. , Handler Kristina , Ficht Xenia , Platt Randall J. , Piscuoglio Salvatore , Moor Andreas E.
Published: July 2024

It is estimated that only 0.02% of disseminated tumour cells are able to seed overt metastases1. While this suggests the presence of environmental constraints to metastatic seeding, the landscape of host factors controlling this process remains largely unclear. Here, combining transposon technology2 and fluorescence niche labelling3, we developed an in vivo CRISPR activation screen to systematically investigate the interactions between hepatocytes and metastatic cells. We identify plexin B2 as a critical host-derived regulator of liver colonization in colorectal and pancreatic cancer and melanoma syngeneic mouse models. We dissect a mechanism through which plexin B2 interacts with class IV semaphorins on tumour cells, leading to KLF4 upregulation and thereby promoting the acquisition of epithelial traits. Our results highlight the essential role of signals from the liver parenchyma for the seeding of disseminated tumour cells before the establishment of a growth-promoting niche. Our findings further suggest that epithelialization is required for the adaptation of CRC metastases to their new tissue environment. Blocking the plexin-B2–semaphorin axis abolishes metastatic colonization of the liver and therefore represents a therapeutic strategy for the prevention of hepatic metastases. Finally, our screening approach, which evaluates host-derived extrinsic signals rather than tumour-intrinsic factors for their ability to promote metastatic seeding, is broadly applicable and lays a framework for the screening of environmental constraints to metastasis in other organs and cancer types.
Neoantigen-specific cytotoxic Tr1 CD4 T cells suppress cancer immunotherapy
Authors: Sultan Hussein , Takeuchi Yoshiko , Ward Jeffrey P. , Sharma Naveen , Liu Tian-Tian , Sukhov Vladimir , Firulyova Maria , Song Yuang , Ameh Samuel , Brioschi Simone , Khantakova Darya , Arthur Cora D. , White J. Michael , Kohlmiller Heather , Salazar Andres M. , Burns Robert , Costa Helio A. , Moynihan Kelly D. , Yeung Yik Andy , Djuretic Ivana , Schumacher Ton N. , Sheehan Kathleen C. F. , Colonna Marco , Allison James P. , Murphy Kenneth M. , Artyomov Maxim N. , Schreiber Robert D.
Published: July 2024

CD4+ T cells can either enhance or inhibit tumour immunity. Although regulatory T cells have long been known to impede antitumour responses1–5, other CD4+ T cells have recently been implicated in inhibiting this response6,7. Yet, the nature and function of the latter remain unclear. Here, using vaccines containing MHC class I (MHC-I) neoantigens (neoAgs) and different doses of tumour-derived MHC-II neoAgs, we discovered that whereas the inclusion of vaccines with low doses of MHC-II-restricted peptides (LDVax) promoted tumour rejection, vaccines containing high doses of the same MHC-II neoAgs (HDVax) inhibited rejection. Characterization of the inhibitory cells induced by HDVax identified them as type 1 regulatory T (Tr1) cells expressing IL-10, granzyme B, perforin, CCL5 and LILRB4. Tumour-specific Tr1 cells suppressed tumour rejection induced by anti-PD1, LDVax or adoptively transferred tumour-specific effector T cells. Mechanistically, HDVax-induced Tr1 cells selectively killed MHC-II tumour antigen-presenting type 1 conventional dendritic cells (cDC1s), leading to low numbers of cDC1s in tumours. We then documented modalities to overcome this inhibition, specifically via anti-LILRB4 blockade, using a CD8-directed IL-2 mutein, or targeted loss of cDC2/monocytes. Collectively, these data show that cytotoxic Tr1 cells, which maintain peripheral tolerance, also inhibit antitumour responses and thereby function to impede immune control of cancer.
Synthesis and characterization of Co(II) porphyrin complex supported on chitosan/graphene oxide nanocomposite for efficient green oxidation and removal of Acid Orange 7 dye
Authors: El-Khalafy Sahar H. , Hassanein Mahmoud T. , Alaskary Mohamed M. , Salahuddin Nehal A.
Published: July 2024

Catalytic degradation of Acid Orange 7 (AO7) by hydrogen peroxide in an aqueous solution has been investigated using cobalt(II) complex of 5, 10, 15, 20 Tetrakis [4-(hydroxy)phenyl] porphyrin [Co(II) TPHPP] covalently supported chitosan/Graphene Oxide nanocomposite [Co(II) TPHPP]-Cs/GO, as highly efficient and recoverable heterogeneous catalyst. The structures and properties of [Co(II) TPHPP]-Cs/GO nanocomposite were characterized by techniques such as UV–Vis, FT-IR, SEM, EDX, TEM, and XRD. The oxidation reaction was followed by recording the UV–Vis spectra of the reaction mixture with time at λmax = 485 nm. [Co(II) TPHPP]-Cs/GO nanocomposite demonstrated high catalytic activity and could decompose 94% of AO7 within 60 min. The factors that may influence the oxidation of Acid Orange 7, such as the effect of reaction temperature, pH, concentration of catalyst, Acid Orange 7, and hydrogen peroxide, have been studied. The results of total organic carbon analysis (TOC) showed 50% of dye mineralization under mild reaction conditions of AO7 (1.42 × 10−4M) with H2O2 (8 × 10−2M) in the presence of [Co(II) TPHPP]-Cs/GO nanocomposite (15 × 10−3 g/ml) and pH = 9 at 40 °C. The reuse and stability of the nanocomposite were examined and remarkably, even after six cycles of reuse, there was no significant degradation or deactivation of the recycled catalyst. Residual organic compounds in the reaction mixture were identified by using GC–MS analyses. The radical scavenging measurements and photoluminescence probing technology of disodium salt of terephthalic acid indicated the formation of the hydroxyl radical as the reactive oxygen species in the [Co(II) TPHPP]-Cs/GO nanocomposite/H2O2 system. A mechanism for the oxidation reaction has been discussed.
Genetic characterization of Tibetan pigs adapted to high altitude under natural selection based on a large whole-genome dataset
Authors: Zhang Lingyun , Zhu Yanbin , Ren Yue , Xu Linna , Liu Xuanbo , Qi Xuebin , Jiao Ting , Sun Guangming , Han Haiyu , Zhang Jian , Sun Fengbo , Yang Yanan , Zhao Shengguo
Published: July 2024

The Qinghai-Tibet Plateau is a valuable genetic resource pool, and the high-altitude adaptation of Tibetan pigs is a classic example of the adaptive evolution of domestic animals. Here, we report the presence of Darwinian positive selection signatures in Tibetan pigs (TBPs) using 348 genome-wide datasets (127 whole-genome sequence datasets (WGSs) and 221 whole-genome single-nucleotide polymorphism (SNP) chip datasets). We characterized a high-confidence list of genetic signatures related response to high-altitude adaptation in Tibetan pigs, including 4,598 candidate SNPs and 131 candidate genes. Functional annotation and enrichment analysis revealed that 131 candidate genes are related to multiple systems and organs in Tibetan pigs. Notably, eight of the top ten novel genes, RALB, NBEA, LIFR, CLEC17A, PRIM2, CDH7, GK5 and FAM83B, were highlighted and associated with improved adaptive heart functions in Tibetan pigs high-altitude adaptation. Moreover, genome-wide association analysis revealed that 29 SNPs were involved in 13 candidate genes associated with at least one adaptive trait. In particular, among the top ten candidate genes, CLEC17A is related to a reduction in hemoglobin (HGB) in Tibetan pigs. Overall, our study provides a robust SNP/gene list involving genetic adaptation for Tibetan pig high-altitude adaptation, and it will be a valuable resource for future Tibetan pig studies.
Revealing detrimental effects of various DC electrical energy conditions on different multidrug resistant bacteria: a comprehensive study
Authors: Shawki Mamdouh M. , El-Shall Hadeel S. , Moustafa Maisa E. , Atay Kamal Y. S. , Elsheredy Amel G. , Eltarahony Marwa M.
Published: July 2024

The arbitrary discharge of contaminated wastes, especially that encompass multidrug resistant microbes (MDR), would broaden the circle of epidemic diseases such as COVID-19, which in turn deteriorate definitely the whole socioeconomics. Therefore, the employment of electrical stimulation techniques such as direct current (DC) with low energy considers being effective tool to impede spontaneous changes in microbial genetic makeup, which increases the prevalence of MDR phenomenon. Herein, the influence of different electric energies generated by DC electric field, volts and time on MDR-bacteria that are categorized among the highly ranked nosocomial pathogens, was scrutinized. Wherein, Pseudomonas aeruginosa, Escherichia coli, Staphylococcus aureus and Enterococcus faecalis were examined as paradigms of Gram-negative and Gram-positive pathogens. The results declared the significant superior antagonizing potency of electric energy in a dose-dependent modality rather than the applied volts or exposure time. Notably, the exposure of bacterial cultures to140 J inhibited the bacterial count by > 78% and the range of 47–73% for Gram-negative and Gram-positive, respectively. While the suppression in their metabolic activity assessed by > 75% and 41–68%, respectively; reflecting the capability of electrical energy to induce viable but non-culturable (VBNC) state. Similarly, the results of total protein, extracellular protein content and lactate dehydrogenase activity emphasized the cell wall deterioration and losing of cell membrane integrity. Additionally, the elevating in ROS upon DC-exposure participated in DNA fragmentation and plasmid decomposability by the range of 33–60%. Further, SEM micrographs depicted drastic morphological deformations after electrical treatment. Strikingly, DC-treatment impaired antibiotic resistance of the examined strains against several antibiotics by > 64.2%. Generally, our comparative detailed study revealed deleterious potentiality of different DC-protocols in defeating microbial pollution, which could be invested as efficient disinfectant alternative in various sectors such as milk sterilization and wastewater purification.
The effects of corticotropin-releasing factor on motor learning
Authors: Takeuchi Eri , Hatanaka Tomomi , Iijima Takatoshi , Kimura Minoru , Katoh Akira
Published: July 2024

Corticotropin-releasing factor (CRF) is mainly secreted from the hypothalamic paraventricular nuclei and plays a crucial role in stress-related responses. Recent studies have reported that CRF is a neuromodulator in the central nervous system. In the cerebellum, CRF is essential for the induction of long-term depression (LTD) at the parallel fiber-Purkinje cell synapses. Given that LTD is thought to be one of the fundamental mechanisms of motor learning, CRF may affect motor learning. However, the role of CRF in motor learning in vivo remains unclear. In this study, we aimed to examine the role of CRF in motor learning. This was achieved through a series of behavioral experiments involving the in vivo administration of CRF and its antagonists. Rats injected with CRF directly into the cerebellum exhibited superior performance on the rotarod test, especially during initial training phases, compared to control subjects. Conversely, rats receiving a CRF receptor antagonist demonstrated reduced endurance on the rotating rod compared to controls. Notably, CRF mRNA expression levels in the cerebellum did not show significant variance between the CRF-injected and control groups. These findings imply a critical role of endogenous CRF in cerebellar motor learning and suggest that exogenous CRF can augment this process. (199 words)
Responses of nitrobenzene removal performance and microbial community by modified biochar supported zerovalent iron in anaerobic soil
Authors: Hainan Lu , Peng Li , Qingqing Li , Fang Liu , Dong Zhou , Shenfa Huang , Jie Yang , Zhiheng Li
Published: July 2024

Biochar-supported ZVI have received increasing attention for their potential to remove nitrobenzene in groundwater and soil. However, the capacity of this material to enhance the biological reduction of nitrobenzene and alter microbial communities in anaerobic groundwater have not been explored. In this study, the nitrobenzene removal performance and mechanism of modified biochar-supported zerovalent iron (ZVI) composites were explored in anaerobic soil. The results showed that the 700 °C biochar composite enhanced the removal of nitrobenzene and inhibited its release from soil to the aqueous phase. NaOH-700-Fe50 had the highest removal rate of nitrobenzene, reaching 64.4%. However, the 300 °C biochar composite inhibited the removal of nitrobenzene. Microbial degradation rather than ZVI-mediated reduction was the main nitrobenzene removal pathway. The biochar composites changed the richness and diversity of microbial communities. ZVI enhanced the symbiotic relationship between microbial genera and weakened competition between soil microbial genera. In summary, the 700 °C modified biochar composite enhanced the removal of nitrobenzene by increasing microbial community richness and diversity, by upregulating functional genes, and by promoting electron transfer. Overall, the modified biochar-supported ZVI composites could be used for soil remediation, and NaOH-700-Fe50 is a promising composite material for the on-site remediation of nitrobenzene-contaminated groundwater.
A hybrid quantum computing pipeline for real world drug discovery
Authors: Li Weitang , Yin Zhi , Li Xiaoran , Ma Dongqiang , Yi Shuang , Zhang Zhenxing , Zou Chenji , Bu Kunliang , Dai Maochun , Yue Jie , Chen Yuzong , Zhang Xiaojin , Zhang Shengyu
Published: July 2024

Quantum computing, with its superior computational capabilities compared to classical approaches, holds the potential to revolutionize numerous scientific domains, including pharmaceuticals. However, the application of quantum computing for drug discovery has primarily been limited to proof-of-concept studies, which often fail to capture the intricacies of real-world drug development challenges. In this study, we diverge from conventional investigations by developing a hybrid quantum computing pipeline tailored to address genuine drug design problems. Our approach underscores the application of quantum computation in drug discovery and propels it towards more scalable system. We specifically construct our versatile quantum computing pipeline to address two critical tasks in drug discovery: the precise determination of Gibbs free energy profiles for prodrug activation involving covalent bond cleavage, and the accurate simulation of covalent bond interactions. This work serves as a pioneering effort in benchmarking quantum computing against veritable scenarios encountered in drug design, especially the covalent bonding issue present in both of the case studies, thereby transitioning from theoretical models to tangible applications. Our results demonstrate the potential of a quantum computing pipeline for integration into real world drug design workflows.
Determinants of Achilles tendon thickness and their influence on knee function and foot alignment in knee osteoarthritis
Authors: Nazir Shaikh Nabi Bukhsh , Ansari Basit
Published: July 2024

Knee osteoarthritis (OA) significantly impacts the quality of life of individuals globally. However, the interconnections between Achilles tendon thickness, knee symptoms/functions, and foot alignment remain understudied in knee OA patients. This study determines the relationships between Achilles tendon thickness (ATT), knee symptoms/functions, and foot alignment in knee OA patients, considering their interconnected biomechanical nature. In a cross-sectional analysis involving 122 knee OA patients, Knee injury and Osteoarthritis Outcome Score (KOOS) assessed knee function and symptoms. Forefoot, midfoot, and rearfoot alignment were measured using hallux valgus angle, navicular/foot ratio, and rearfoot angle. The navicular/foot ratio represented the ratio of navicular height to total foot length. ATT was measured using a digital calliper. Pearson correlations and stepwise multiple linear regression models were employed to explore relationships and determinants. Out of 122 participants, 88 (72.1%) were females. ATT correlated significantly with ankle range of motion, forefoot alignment, and midfoot alignment. In stepwise multivariable regression, ankle range of motion, navicular/foot ratio, and age were significantly associated with ATT (adjusted R2 = 0.44). Similarly, KOOS-Symptoms scores were linked to the OA severity, navicular/foot ratio, ankle range of motion, gastrocnemius strength, and age (adjusted R2 = 0.22). KOOS-Function scores were significantly associated with knee OA severity, gastrocnemius strength, ankle range of motion, and age (adjusted R2 = 0.19). Midfoot alignment was significantly associated with ATT and knee symptoms in patients with Knee OA. This suggests potential benefits of interventions targeting both Achilles tendon properties and foot alignment for improved knee OA outcomes.
Effects of environmental change on health and the critical need for sex- and gender-disaggregated data
Authors: Peters Sanne A. E. , Downey Laura , Millett Christopher , Hirst Jane E. , Vaartjes Ilonca , Downward George S.
Published: July 2024

The impacts of sex and gender on the health effects of environmental change are unclear and understudied. We describe the sex and gender dimensions of the health impacts of environmental change and provide a critical reflection on improving the quality of sex- and gender-disaggregated data and research, ultimately paving the way for evidence-based policies and interventions that account for the diverse experiences of individuals across the sex and gender spectrum.
Synthesis, Properties, and Therapeutic Applications of Dithiazoles
Authors: Barick Subrata , Sagar Titiksha Kumar , Chandrashekharappa Sandeep
Published: July 2024

Dithiazoles encompass four distinct systems, with 1,2,3-dithiazole being one of them. These five-membered aromatic and planar heterocycles, comprising sulfur and nitrogen atoms, can exist in open- or closed-shell configurations, exhibiting both neutrality and cationic tendencies. Sulfur-rich S-heterocycles, such as 1,2,3-dithiazoles, hold a particular fascination within the realm of organic chemistry. This chapter offers an all-encompassing exploration of historical development, contemporary prospects, and captivating biological applications associated with 1,2,3-dithiazoles, an exceptional subset of S-heterocycles. 1,2,3-Dithiazoles, which are not found in nature, made their synthetic debut in 1957. The synthesis of “Appel’s salt” (4,5-dichloro-1,2,3-dithiazolium chloride) in 1985 played a pivotal role in advancing the field of 1,2,3-dithiazole chemistry. This compound can be readily prepared from chloroacetonitrile and disulfur dichloride. Recent innovations in dithiazole chemistry include the transformation of 1,2,3-dithiazoles into pyrazolo[3,4-d]thiazoles, pyridothiazoles, pyrido[2,3-d]pyrimidines, and the uncommon 1,2,4-dithiazine system (pyrazolo-[3,4-e][1,2,4]dithiazines and benzo[e][1,2,4]dithiazines). Despite being relatively underexplored in the realm of medicinal chemistry, 1,2,3-dithiazoles have exhibited notable potential as antifungals, herbicides, antibacterial agents, anticancer drugs, antivirals, antifibrotics, melanin inhibitors, and Arabidopsis gibberellin 2-oxidase inhibitors. In 2016, their antiviral activity was first reported, demonstrating promise against feline immunodeficiency virus (FIV) as an HIV model. Furthermore, these compounds showed efficacy against various cancer cell lines, notably breast, bladder, and prostate cancers, unveiling a path for further scaffold development. Despite remaining synthetic challenges, the 1,2,3-dithiazole scaffold presents a compelling avenue for diverse biomedical applications.
Synthesis, Properties, and Biological Applications of 2,4-Thiazolidinediones
Authors: Shaikh Mubarak H. , Shingate Bapurao B. , Kunde Sachin P. , Akolkar Hemantkumar N. , Khedkar Vijay M. , Pansare Dattatraya N.
Published: July 2024

The structural properties of 2,4-thiazolidinediones – their hydrogen-bonding donor and acceptor regions – make them adaptable scaffolds. The synthesis of several bioactive 2,4-thiazolidinedione derivatives is the subject of this chapter. The presentation is based on the differences in the linkers of 2,4-thiazolidinediones at positions three and five. This chapter describes the studies on the assessments of numerous biological functions, such as antidiabetic, anticancer, anti-inflammatory, and antioxidant activities, conducted on the corresponding products by different academics or research organizations.
Recent Developments in the Synthesis and Biological Applications of Thiazine
Authors: Thube D. R. , Akolkar H. N. , Darekar N. R. , Khedkar V. M. , Kundlikar S. G.
Published: July 2024

Thiazines played a significant role in medicinal chemistry. Their derivatives have a wide spectrum of biological activities. In this chapter, we described the most recent information on various synthesis techniques and the biological importance of thiazine derivatives from the published research papers.
Synthesis, Properties, and Biological Applications of Benzothiophene
Authors: Wable Jaidip B. , Mascarenhas Cheryl , Akolkar Hemantkumar N. , Darekar Nirmala R. , Prabhu Pradnya
Published: July 2024

Benzothiophene is a heterocyclic aromatic compound containing sulfur as a heteroatom in the five-membered ring, which is fused with benzene. Medicinal chemistry has shown a great deal of interest in benzothiophene, as it showed various pharmacological properties and structural versatility. The synthesis of benzothiophene derivatives involves multiple strategies, with researchers using a variety of synthetic methodologies. Benzothiophene compounds exhibit a broad range of biological activities, making them attractive candidates for drug development. In terms of their biological and physiological properties, viz. antimicrobial, anti-inflammatory, anti-anxiety, anti-arrhythmic, anti-psychotic, kinase-inhibiting, and anticancer properties, they are remarkably effective compounds. The benzothiophene scaffold has been found in medicinal drugs, such as zileuton, benzothiophenylcyclohexylpiperidine (BTCP), raloxifene, and sertaconazole. In addition, it is used to produce hues, such as thioindigo. Considering the above-mentioned facts, this chapter explores the synthesis and the potential applications of benzothiophenes in drug development and their impact on various aspects of medicinal chemistry, such as analgesic, anti-inflammatory, anticancer, antioxidant, anti-tubercular, anti-HIV, anti-Parkinson, anti-convulsing, and anti-diabetic activities.
Antenna effect enhanced ECL immunoassay using microfloral europium porphyrin coordination polymers based on Eu3+ and TCPP for the detection of chloramphenicol in foods
Authors: Qian Xinyue , Tan Cheng , Zhang Jing , Wu Kang , Deng Anping , Li Jianguo
Published: July 2024

The “antenna effect” is one of the most important energy transfer modes in lanthanide light-emitting polymers.
Molten-salt-assisted preparation of porous carbon foams for efficient oxygen electrocatalysis in zinc–air batteries
Authors: Ma Jizhen , Shu Xinxin , Chen Song , Chen Qianwu , Wang An-Liang , Zhang Jintao
Published: July 2024

A molten-salt-assisted strategy enables the anchoring of metal sites among porous carbon foams to enhance efficient oxygen electrocatalysis for high-performing zinc–air batteries.
Plasmonic nanoparticle-assisted single-molecule dynamic binding for protein kinase activity digital counting
Authors: Li Qingnan , Qiang Wenzhi , Deng Yanan , Xiao Lehui
Published: July 2024

In this work, we design a new approach for digital counting-based protein kinase activity assay by using plasmonic nanoparticle-assisted single-molecule dynamic binding.
Combining Ti4(embonate)6 anionic cages and π-conjugated coordination cations for highly effective optical limiting
Authors: Yuan Yuan , Zhang Dong-Hui , Li Qiao-Hong , Chen Shu-Mei , He Yan-Ping , Zhang Jian
Published: July 2024

The integration of anionic Ti4L6 (L = embonate) cages and π-conjugated coordination cations into ordered structures can produce high-performance nonlinear optical (NLO) materials.
Revisiting the photocharging effect on the BiVO4 (010) surface by identifying the charge reaction kinetics
Authors: Liu Yanjie , Gong Meiying , Hu Jundie , Qu Jiafu , Li Qingqing , Zhang Zhichao , Sun Wei , Yang Xiaogang , Li Chang Ming
Published: July 2024

Photocharging treatment alters the initial surface intermediate termination, which requires different charge accumulations to overcome the rate-determining step.
Theoretical investigation of 2D/2D van der Waals SbPO4/BiOClxBr1−x heterojunctions for photocatalytic water splitting
Authors: Zhu Zi Tao , Zhou Bo Wei , Sun Zheng Dong , Ma Jia Xin , Wang Xiao , Zhang Meng
Published: July 2024

A novel Z-scheme van der Waals heterojunction, SbPO4/BiOClxBr1−x, meets the redox conditions of water and provides valuable theoretical insights for the experimental synthesis of high-performance BiOX-based photocatalysts.
Metamagnetic phase transition induced large magnetocaloric effect in a Dy0.5Ho0.5MnO3 single crystal
Authors: Yang Wanting , Chen Haiyang , Peng Haohuan , Lin Zhaodi , Zheng Yubing , Ma Xiaoxuan , Jia Rongrong , Kang Baojuan , Feng Zhenjie , Cao Shixun
Published: July 2024

A Dy0.5Ho0.5MnO3 single crystal exhibits a large (rotating) magnetocaloric effect because of both the ΔS-effect and ΔT-effect.
Negative Poisson's ratio of sulfides dominated by strong intralayer electron repulsion
Authors: Zhu Yucheng , Cao Xiaofei , Yang Shuaijun , Hu Jun , Li Baotong , Chen Zhong
Published: July 2024

Geometrical variations in a particular structure or other mechanical factors are often cited as the cause of a negative Poisson's ratio (NPR).
Nanocellulose reinforced polyvinyl alcohol-based bio-nanocomposite films: improved mechanical, UV-light barrier, and thermal properties
Authors: Mahardika Melbi , Masruchin Nanang , Amelia Devita , Ilyas Rushdan Ahmad , Septevani Athanasia Amanda , Syafri Edi , Hastuti Novitri , Karina Myrtha , Khan Moonis Ali , Jeon Byong-Hun , Sari Nasmi Herlina
Published: July 2024

This study reported the development and characterisation of bio-nanocomposite films based on the polyvinyl alcohol (PVA) reinforced with cellulose nanofibres (CNFs) of different concentrations (1–5 wt%), isolated from pineapple leaf fibre.
Upper rim-bridged calixarenes
Authors: Lhoták Pavel
Published: July 2024

This review deals with basic synthetic strategies leading to bridging the upper rim of calixarenes, giving rise to unusual rigidified structures with possible applications in supramolecular chemistry.
Tandem catalytic allylic C–H amination and asymmetric [2,3]-rearrangement via bimetallic relay catalysis
Authors: Wu Zhenwei , Yang Xi , Zhang Fangqing , Liu Yangbin , Feng Xiaoming
Published: July 2024

An asymmetric tandem allylic C–H amination and [2,3]-sigmatropic rearrangement has been developed by making use of bimetallic relay catalysis with an achiral Pd(0) catalyst and a chiral N,N′-dioxide-Mg(ii) complex.
Digital twin‐based virtual commissioning for evaluation and validation of a reconfigurable process line
Authors: Iyer Suveg V. , Sangwan Kuldip Singh , Dhiraj
Published: July 2024

The benefits of advancements in information and communication technologies have proliferated in manufacturing applications as more industries are migrating towards industry 4.0 compliance. The industry 4.0 process lines should be dynamic and reconfigurable. Digital twin (DT), supported by real‐time data, is getting wide acceptance as a tool for monitoring and control of complex processes. Virtual commissioning (VC) has played a vital role in the software‐based validation of the control systems. A DT‐based VC methodology is proposed to evaluate and validate a reconfigured process line. The proposed new asset is commissioned virtually in the DT environment maintaining other stations and parameters synchronised. The proposed methodology is validated in a modular production system assembly line. A storage and retrieval station is virtually commissioned by the hardware in loop technique in the assembly line DT with a station time error of 1.3% between the VC model and the actual assembly line data. The case study demonstrates the feasibility of the proposed methodology in assessing the impacts due to reconfiguration of a process line. The findings offer significant support to decision makers in taking informed decisions and to reduce unforeseen interruptions resulting from the integration of a new asset with the existing process line.
Research on the Low-Temperature Stability of Anode and Electrolyte of Lithium-ion Battery
Authors: Zhang Tongyu
Published: July 2024

With the acceleration of technological progress, lithium-ion batteries (LIBs) have become one of the indispensable forms of energy in modern life and play a crucial role. However, its performance degradation in low-temperature environments remains a key factor restricting its further development. In particular, as the core components of LIBs, the stability of electrodes and electrolytes at low temperatures directly determines the overall performance of the battery. Specifically, the fluidity of the electrolyte is significantly reduced at low temperatures, while lithium-ions at the negative electrode are more easily precipitated, leading to the formation of lithium dendrites, which together affect the safety and life of the battery. This paper systematically analyses the latest advances in structure regulation and design of anode materials and electrolytes through an in-depth study of the low-temperature stability of LIBs. Modification methods for these key materials are described in detail, including strategies for optimising electrolyte additives and their positive effects on enhancing battery performance at low temperatures. In addition, the article discusses potential directions for future research in this area, aiming to provide guidance and reference for improving the performance of LIBs for applications in low-temperature environments.
Advance of Metal Compound Cathodes in Lithium Sulfur Batteries
Authors: Liu Zhaohui , Sun Yaxuan , Xu Heyang
Published: July 2024

With the rapid development of technology, people’s demand for energy is increasing day by day. Many energy devices electric vehicles and other technological products require high-energy lithium secondary batteries to operate. Higher electrochemical energy per unit volume and lower manufacturing cost than lithium batteries are the characteristic advantages of lithium sulfur (LiS) batteries. At the same time, it is environmentally friendly. The global reserves of elemental sulfur are also very abundant, and the cost is low. Therefore, LiS batteries have become one of the most promising secondary batteries in the future. However, LiS batteries also suffer from issues such as poor conductivity of the active substance sulfur, shuttle effect, volume expansion, and lithium dendrites. Research has found that the application of composite materials of metal compounds and sulfur in the cathode of LiS batteries can effectively limit the shuttle effect and poor conductivity of LiS batteries. It can effectively adsorb polysulfides generated in the reaction, optimize the electric performance of cathode sulfur, strengthen the rate performance and cycle stability of lithium ion battery, as well as reduce capacity degradation, significantly improving their electrochemical performance. This article reviews the research progress on the application of metal compounds, mainly metal oxides and metal sulfides, in the cathode of LiS batteries. It explores how this application can suppress shuttle effects and slow down capacity degradation and summarizes and looks forward to its development.
Research Progress on Electrocatalysts for Electrocatalytic Carbon Dioxide Reduction
Authors: Liao Yingxiang
Published: July 2024

Electrochemical CO2 reduction reaction (CO2RR) is a vital strategy for achieving carbon neutrality by converting CO2 into high-energy-density, valuable chemical products, thereby facilitating carbon resource recycling and addressing environmental challenges. Herein, this paper emphasizes the role of CO2RR in diminishing the greenhouse effect through the transformation of CO2, with a particular focus on the latest advancements in Cu-based nanocatalysts, metal-organic framework (MOF)-based catalysts, and heteroatom-doped carbon materials, which are key innovations in achieving enhanced photoelectric conversion efficiency and steering CO2 conversion pathways. The paper also outlines the electrochemical principles of CO2RR, and the spectrum of potential reduction products, and navigates through the challenges of stability and production costs. The paper proposes strategies to surmount these hurdles, highlighting the critical role of industrial collaborations and breakthroughs in materials science. Future research should aim to pinpoint cost-effective, efficient catalysts for CO2RR, contributing significantly to mitigating the greenhouse effect and propelling forward sustainable energy solutions.