bluuebunny/crossref_metadata_2025 huggingface dataset:
High-performance alkaline water electrolyzers based on Ru-perturbed Cu nanoplatelets cathode
Authors: Zuo Yong , Bellani Sebastiano , Ferri Michele , Saleh Gabriele , Shinde Dipak V. , Zappia Marilena Isabella , Brescia Rosaria , Prato Mirko , De Trizio Luca , Infante Ivan , Bonaccorso Francesco , Manna Liberato
Published: August 2023

Alkaline electrolyzers generally produce hydrogen at current densities below 0.5 A/cm2. Here, we design a cost-effective and robust cathode, consisting of electrodeposited Ru nanoparticles (mass loading ~ 53 µg/cm2) on vertically oriented Cu nanoplatelet arrays grown on metallic meshes. Such cathode is coupled with an anode based on stacked stainless steel meshes, which outperform NiFe hydroxide catalysts. Our electrolyzers exhibit current densities as high as 1 A/cm2 at 1.69 V and 3.6 A/cm2 at 2 V, reaching the performances of proton-exchange membrane electrolyzers. Also, our electrolyzers stably operate in continuous (1 A/cm2 for over 300 h) and intermittent modes. A total production cost of US$2.09/kgH2 is foreseen for a 1 MW plant (30-year lifetime) based on the proposed electrode technology, meeting the worldwide targets (US$2–2.5/kgH2). Hence, the use of a small amount of Ru in cathodes (~0.04 gRu per kW) is a promising strategy to solve the dichotomy between the capital and operational expenditures of conventional alkaline electrolyzers for high-throughput operation, while facing the scarcity issues of Pt-group metals.
Harmonic to anharmonic tuning of moiré potential leading to unconventional Stark effect and giant dipolar repulsion in WS2/WSe2 heterobilayer
Authors: Chatterjee Suman , Dandu Medha , Dasika Pushkar , Biswas Rabindra , Das Sarthak , Watanabe Kenji , Taniguchi Takashi , Raghunathan Varun , Majumdar Kausik
Published: August 2023

Excitonic states trapped in harmonic moiré wells of twisted heterobilayers is an intriguing testbed for exploring many-body physics. However, the moiré potential is primarily governed by the twist angle, and its dynamic tuning remains a challenge. Here we demonstrate anharmonic tuning of moiré potential in a WS2/WSe2 heterobilayer through gate voltage and optical power. A gate voltage can result in a local in-plane perturbing field with odd parity around the high-symmetry points. This allows us to simultaneously observe the first (linear) and second (parabolic) order Stark shift for the ground state and first excited state, respectively, of the moiré trapped exciton - an effect opposite to conventional quantum-confined Stark shift. Depending on the degree of confinement, these excitons exhibit up to twenty-fold gate-tunability in the lifetime (100 to 5 ns). Also, exciton localization dependent dipolar repulsion leads to an optical power-induced blueshift of ~ 1 meV/μW - a five-fold enhancement over previous reports.
The contribution of corporate initiatives to global renewable electricity deployment
Authors: Egli Florian , Zhang Rui , Hopo Victor , Schmidt Tobias , Steffen Bjarne
Published: August 2023

Climate change is gaining importance on the agenda of senior decision makers in the private sector. Hence, corporate renewable electricity (RE) procurement may become more relevant to the energy transition. RE100 is the largest corporate initiative to foster RE procurement with 315 corporate members as of 2021. Yet, the contribution of such initiatives to the energy transition remains unclear, because public reporting is aggregated on the global level. Here, we develop an approach to map the electricity procured by RE100 companies to jurisdictions worldwide, which allows estimating whether and where RE100 can have a transformative impact. We find that these companies source electricity in 129 jurisdictions, accounting for <1% of total electricity generation (RE and non-RE), thus dampening the hopes about the impact of RE100 on the global energy transition. RE100 companies procure 1.4% of available RE, exceeding 20% in nine jurisdictions. To increase its impact, RE100 should focus on interim targets and expansion. By 2030, stringent and frequent interim targets could lead to a cumulated additional 361 TWh of RE procured by RE100 companies, and a realistic membership expansion could lead to procurement of 7.7% of globally available RE by RE100 companies.
A contracting Intertropical Convergence Zone during the Early Heinrich Stadial 1
Authors: Yang Yiping , Zhang Lanlan , Yi Liang , Zhong Fuchang , Lu Zhengyao , Wan Sui , Du Yan , Xiang Rong
Published: August 2023

Despite the fact that the response of tropical hydroclimate to North Atlantic cooling events during the Heinrich Stadial 1 (HS1) has been extensively studied in African, South American and Indonesia, the nature of such responses remains debated. Here we investigate the tropical hydroclimate pattern over the Indo-Asian-Australian monsoon region during the HS1 by integrating hydroclimatic records, and examining a δ18Oseawater record from Globigerinoides ruber (white) in the tropical Indian Ocean. Our findings indicate that tropical hydrological conditions were synchronously arid in both hemispheres during the early HS1 (~18.3-16.3 ka) in the Indo-Asian-Australian monsoon region, except for a narrow, wet hydrological belt in northern low latitudes, suggesting the existence of a contracted tropical precipitation belt at that time. This study reveals that the meltwater discharge and resulting changes in global temperatures and El Niño exerted a profound influence on the tropical hydroclimate in the Indo-Asian-Australian monsoon region during the early HS1.
The AT-hook is an evolutionarily conserved auto-regulatory domain of SWI/SNF required for cell lineage priming
Authors: Saha Dhurjhoti , Hailu Solomon , Hada Arjan , Lee Junwoo , Luo Jie , Ranish Jeff A. , Lin Yuan-chi , Feola Kyle , Persinger Jim , Jain Abhinav , Liu Bin , Lu Yue , Sen Payel , Bartholomew Blaine
Published: August 2023

The SWI/SNF ATP-dependent chromatin remodeler is a master regulator of the epigenome, controlling pluripotency and differentiation. Towards the C-terminus of the catalytic subunit of SWI/SNF is a motif called the AT-hook that is evolutionary conserved. The AT-hook is present in many chromatin modifiers and generally thought to help anchor them to DNA. We observe however that the AT-hook regulates the intrinsic DNA-stimulated ATPase activity aside from promoting SWI/SNF recruitment to DNA or nucleosomes by increasing the reaction velocity a factor of 13 with no accompanying change in substrate affinity (KM). The changes in ATP hydrolysis causes an equivalent change in nucleosome movement, confirming they are tightly coupled. The catalytic subunit’s AT-hook is required in vivo for SWI/SNF remodeling activity in yeast and mouse embryonic stem cells. The AT-hook in SWI/SNF is required for transcription regulation and activation of stage-specific enhancers critical in cell lineage priming. Similarly, growth assays suggest the AT-hook is required in yeast SWI/SNF for activation of genes involved in amino acid biosynthesis and metabolizing ethanol. Our findings highlight the importance of studying SWI/SNF attenuation versus eliminating the catalytic subunit or completely shutting down its enzymatic activity.
Membrane mediated mechanical stimuli produces distinct active-like states in the AT1 receptor
Authors: Poudel Bharat , Rajeshwar T Rajitha , Vanegas Juan M.
Published: August 2023

The Angiotensin II Type 1 (AT1) receptor is one of the most widely studied GPCRs within the context of biased signaling. While the AT1 receptor is activated by agonists such as the peptide AngII, it can also be activated by mechanical stimuli such as membrane stretch or shear in the absence of a ligand. Despite the importance of mechanical activation of the AT1 receptor in biological processes such as vasoconstriction, little is known about the structural changes induced by external physical stimuli mediated by the surrounding lipid membrane. Here, we present a systematic simulation study that characterizes the activation of the AT1 receptor under various membrane environments and mechanical stimuli. We show that stability of the active state is highly sensitive to membrane thickness and tension. Structural comparison of membrane-mediated vs. agonist-induced activation shows that the AT1 receptor has distinct active conformations. This is supported by multi-microsecond free energy calculations that show unique landscapes for the inactive and various active states. Our modeling results provide structural insights into the mechanical activation of the AT1 receptor and how it may produce different functional outcomes within the framework of biased agonism.
On the promise of personalized learning for educational equity
Authors: Dumont Hanna , Ready Douglas D.
Published: August 2023

Students enter school with a vast range of individual differences, resulting from the complex interplay between genetic dispositions and unequal environmental conditions. Schools thus face the challenge of organizing instruction and providing equal opportunities for students with diverse needs. Schools have traditionally managed student heterogeneity by sorting students both within and between schools according to their academic ability. However, empirical evidence suggests that such tracking approaches increase inequalities. In more recent years, driven largely by technological advances, there have been calls to embrace students’ individual differences in the classroom and to personalize students’ learning experiences. A central justification for personalized learning is its potential to improve educational equity. In this paper, we discuss whether and under which conditions personalized learning can indeed increase equity in K-12 education by bringing together empirical and theoretical insights from different fields, including the learning sciences, philosophy, psychology, and sociology. We distinguish between different conceptions of equity and argue that personalized learning is unlikely to result in “equality of outcomes” and, by definition, does not provide “equality of inputs”. However, if implemented in a high-quality way, personalized learning is in line with “adequacy” notions of equity, which aim to equip all students with the basic competencies to participate in society as active members and to live meaningful lives.
The co-delivery of adenovirus-based immune checkpoint vaccine elicits a potent anti-tumor effect in renal carcinoma
Authors: Jiang Nan , Zheng Yanyan , Ding Jiage , Wang Jiawei , Zhu Fei , Wang Meng , Sobhani Navid , Neeli Praveen , Wang Gang , Li Hailong , Zheng Junnian , Chai Dafei
Published: August 2023

Immune-based checkpoint therapy has made significant progress in cancer treatment, but its therapeutic effect is limited. A replication-defective adenovirus (Ad) vaccine encoding tumor antigen carbonic anhydrase IX (CAIX) combined with Ad-encoding immune checkpoint PD-L1 was developed to treat renal carcinoma. Three tumor models, subcutaneous, lung metastasis and orthotopic tumor were established, and Ad vaccines were used to immunize them and evaluate the vaccine’s therapeutic effect. Compared to the single Ad vaccine group, the subcutaneous tumor growth was significantly reduced in Ad-CAIX/Ad-PD-L1 combination group. Co-immunization of Ad-CAIX/Ad-PD-L1 enhanced the induction and maturation of CD11c+ or CD8+CD11c+ DCs in the spleen and tumor and promoted the strong tumor-specific CD8+ T cell immune responses. In vivo CD8 T cell deletion assay showed that the anti-tumor effect of the Ad-CAIX/Ad-PD-L1 vaccine was mainly dependent on functional CD8+ T cell immune responses. Furthermore, the Ad-CAIX/Ad-PD-L1 vaccine effectively inhibited tumor growth and lung metastasis in metastatic or orthotopic models. These results indicate that the combination strategy of the immune checkpoint vaccine shows promising potential as an approach for malignant tumor therapy.
A comparative study of predicting the availability of power line communication nodes using machine learning
Authors: Moussa Kareem , Amin Mennatullah Mahmoud , Darweesh M. Saeed , Said Lobna A. , Elbaz Abdelmoniem , Soltan Ahmed
Published: August 2023

Power Line Communication technology uses power cables to transmit data. Knowing whether a node is working in advance without testing saves time and resources, leading to the proposed model. The model has been trained on three dominant features, which are SNR (Signal to Noise Ratio), RSSI (Received Signal Strength Indicator), and CINR (Carrier to Interference plus Noise Ratio). The dataset consisted of 1000 readings, with 90% in the training set and 10% in the testing set. In addition, 50% of the dataset is for class 1, which indicates whether the node readings are optimum. The model is trained with multi-layer perception, K-Nearest Neighbors, Support Vector Machine with linear and non-linear kernels, Random Forest, and adaptive boosting (ADA) algorithms to compare between statistical, vector-based, regression, decision, and predictive algorithms. ADA boost has achieved the best accuracy, F-score, precision, and recall, which are 87%, 0.86613, 0.9, 0.8646, respectively.
Impaired cecal motility and secretion alongside expansion of gut-associated lymphoid tissue in the Nlgn3R451C mouse model of autism
Authors: Lee Chalystha Yie Qin , Balasuriya Gayathri K. , Herath Madushani , Franks Ashley E. , Hill-Yardin Elisa L.
Published: August 2023

Individuals with Autism Spectrum Disorder (ASD; autism) commonly present with gastrointestinal (GI) illness in addition to core diagnostic behavioural traits. The appendix, or cecum in mice, is important for GI homeostasis via its function as a key site for fermentation and a microbial reservoir. Even so, the role of the appendix and cecum in autism-associated GI symptoms remains uninvestigated. Here, we studied mice with an autism-associated missense mutation in the post-synaptic protein neuroligin-3 (Nlgn3R451C), which impacts brain and enteric neuronal activity. We assessed for changes in cecal motility using a tri-cannulation video-imaging approach in ex vivo preparations from wild-type and Nlgn3R451C mice. We investigated cecal permeability and neurally-evoked secretion in wild-type and Nlgn3R451C tissues using an Ussing chamber set-up. The number of cecal patches in fresh tissue samples were assessed and key immune populations including gut macrophages and dendritic cells were visualised using immunofluorescence. Nlgn3R451C mice displayed accelerated cecal motor complexes and reduced cecal weight in comparison to wildtype littermates. Nlgn3R451C mice also demonstrated reduced neurally-evoked cecal secretion in response to the nicotinic acetylcholine receptor agonist 1,1-dimethyl-4-phenylpiperazinium (DMPP), but permeability was unchanged. We observed an increase in the number of cecal patches in Nlgn3R451C mice, however the cellular morphologies of key immune populations studied were not significantly altered. We show that the R451C nervous system mutation leads to cecal dysmotility, impaired secretion, and neuro-immune alterations. Together, these results suggest that the R451C mutation disrupts the gut-brain axis with GI dysfunction in autism.
A phenol amine molecule from Salinivenus iranica acts as the inhibitor of cancer stem cells in breast cancer cell lines
Authors: Safarpour Atefeh , Ebrahimi Marzieh , Fazeli Seyed Abolhassan Shahzadeh , Amoozegar Mohammad Ali
Published: August 2023

In recent years, the anticancer properties of metabolites from halophilic microorganisms have received a lot of attention. Twenty-nine halophilic bacterial strains were selected from a culture collection to test the effects of their supernatant metabolites on stem cell-like properties of six human cancer cell lines. Human fibroblasts were used as normal control. Sphere and colony formation assay were done to assess the stem cell-like properties. invasion and migration assay, and tumor development in mice model were done to assess the anti-tumorigenesis effect in vitro and in vivo. The metabolites from Salinivenus iranica demonstrated the most potent cytotoxic effect on breast cancer cell lines (IC50 = 100 µg/mL) among all strains, with no effect on normal cells. In MDA-MB-231 cells, the supernatant metabolites enhanced both early and late apoptosis (approximately 9.5% and 48.8%, respectively) and decreased the sphere and colony formation ability of breast cancer cells. Furthermore, after intratumor injection of metabolites, tumors developed in the mice models reduced dramatically, associated with increased pro-apoptotic caspase-3 expression. The purified cytotoxic molecule, a phenol amine with a molecular weight of 1961.73 Dalton (IC50 = 1 µg/mL), downregulated pluripotency gene SRY-Box Transcription Factor 2 (SOX-2) expression in breast cancer cells which is associated with resistance to conventional anticancer treatment. In conclusion, we suggested that the phenol amine molecule from Salinivenus iranica could be a potential anti-breast cancer component.
Fossils of the oldest diplodocoid dinosaur suggest India was a major centre for neosauropod radiation
Authors: Bajpai Sunil , Datta Debajit , Pandey Pragya , Ghosh Triparna , Kumar Krishna , Bhattacharya Debasish
Published: August 2023

The Early Jurassic and Cretaceous deposits of India are known for their diverse sauropod fauna, while little is known from the Middle and Late Jurassic. Here we report the first ever remains of a dicraeosaurid sauropod from India, Tharosaurus indicus gen. et sp. nov., from the Middle Jurassic (early–middle Bathonian) strata of Jaisalmer Basin, western India. Known from elements of the axial skeleton, the new taxon is phylogenetically among the earlier-diverging dicraeosaurids, and its stratigraphic age makes it the earliest known diplodocoid globally. Palaeobiogeographic considerations of Tharosaurus, seen in conjunction with the other Indian Jurassic sauropods, suggest that the new Indian taxon is a relic of a lineage that originated in India and underwent rapid dispersal across the rest of Pangaea. Here we emphasize the importance of Gondwanan India in tracing the origin and early evolutionary history of neosauropod dinosaurs.
Anatomically modern human in the Châtelperronian hominin collection from the Grotte du Renne (Arcy-sur-Cure, Northeast France)
Authors: Gicqueau Arthur , Schuh Alexandra , Henrion Juliette , Viola Bence , Partiot Caroline , Guillon Mark , Golovanova Liubov , Doronichev Vladimir , Gunz Philipp , Hublin Jean-Jacques , Maureille Bruno
Published: August 2023

Around 42,000 years ago, anatomically modern humans appeared in Western Europe to the detriment of indigenous Neanderthal groups. It is during this period that new techno-cultural complexes appear, such as the Châtelperronian that extends from northern Spain to the Paris Basin. The Grotte du Renne (Arcy-sur-Cure) is a key site for discussing the biological identity of its makers. This deposit has yielded several Neanderthal human remains in its Châtelperronian levels. However, the last inventory of the paleoanthropological collection attributed to this techno-complex allowed the identification of an ilium belonging to a neonate (AR-63) whose morphology required a thorough analysis to assess its taxonomic attribution. Using geometric morphometrics, we quantified its morphology and compared it to that of 2 Neanderthals and 32 recent individuals deceased during the perinatal period to explore their morphological variation. Our results indicate a morphological distinction between the ilia of Neanderthals and anatomically modern neonates. Although AR-63 is slightly outside recent variability, it clearly differs from the Neanderthals. We propose that this is due to its belonging to an early modern human lineage whose morphology differs slightly from present-day humans. We also explore different hypotheses about the presence of this anatomically modern neonate ilium among Neanderthal remains.
Mechanisms for successful management of enterprise resource planning from user information processing and system quality perspective
Authors: Jo Hyeon , Park Do-Hyung
Published: August 2023

Enterprise resource planning (ERP) systems are now ubiquitous in modern organizations. A number of previous studies have focused only on system factors and perceptions, there is a noticeable shortfall in research that concurrently addresses technological factors and human roles in explaining user satisfaction. This study aimed to identify these variables from the perspectives of information systems, technology, and human participation, thereby addressing this knowledge gap. The focus of the study was a large shipbuilding and marine company utilizing an ERP system. The participants, a sample of 234 ERP users, were carefully selected by the company’s executives and practitioners, and data was collected through online questionnaires. They were selected through purposive sampling from among employees who use ERP systems in large-scale shipbuilding and marine engineering companies. The study aimed to clarify the relationships between user satisfaction and perceived ease of use, perceived usefulness, system quality, service quality, participation, and information quality. A partial least squares structural equation modeling (PLS-SEM) was used to analyze the collected data. The results indicated that perceived ease of use, system quality, service quality, and participation positively influenced user satisfaction, whereas perceived usefulness did not have a significant impact. Interestingly, participation was found to lessen the effects of perceived usefulness on satisfaction. The findings of this study suggest that to enhance ERP user satisfaction, managers should strive to make the ERP system easy-to-use and stable, encourage employee participation in the decision-making process, and bolster the role of the support team. It should be noted, however, that the study has limitations as it did not consider all possible factors, such as training and support. Future research should take a broader view of the variables involved in the operation of an enterprise-wide information system.
Tasmanian devil cathelicidins exhibit anticancer activity against Devil Facial Tumour Disease (DFTD) cells
Authors: Petrohilos Cleopatra , Patchett Amanda , Hogg Carolyn J. , Belov Katherine , Peel Emma
Published: August 2023

The Tasmanian devil (Sarcophilus harrisii) is endangered due to the spread of Devil Facial Tumour Disease (DFTD), a contagious cancer with no current treatment options. Here we test whether seven recently characterized Tasmanian devil cathelicidins are involved in cancer regulation. We measured DFTD cell viability in vitro following incubation with each of the seven peptides and describe the effect of each on gene expression in treated cells. Four cathelicidins (Saha-CATH3, 4, 5 and 6) were toxic to DFTD cells and caused general signs of cellular stress. The most toxic peptide (Saha-CATH5) also suppressed the ERBB and YAP1/TAZ signaling pathways, both of which have been identified as important drivers of cancer proliferation. Three cathelicidins induced inflammatory pathways in DFTD cells that may potentially recruit immune cells in vivo. This study suggests that devil cathelicidins have some anti-cancer and inflammatory functions and should be explored further to determine whether they have potential as treatment leads.
Observed increase in the peak rain rates of monsoon depressions
Authors: Vishnu S. , Risser Mark D. , O’Brien Travis A. , Ullrich Paul A. , Boos William R.
Published: August 2023

Most extreme precipitation in the densely populated region of central India is produced by atmospheric vortices called monsoon lows and monsoon depressions. Here we use satellite and gauge-based precipitation estimates with atmospheric reanalyses to assess 40-year trends in the rain rates of these storms, which have remained unknown. We show that rain rates increased in the rainiest quadrant of monsoon depressions, southwest of the vortex center; precipitation decreased in eastern quadrants, yielding no clear trend in precipitation averaged over the entire storm diameter. In an atmospheric reanalysis, ascent increased in the region of amplifying precipitation, but we could not detect trends in the intensity of rotational winds around the storm center. These storm changes occurred in a background environment where humidity increased rapidly over land while warming was more muted. Monsoon lows, which we show produce less precipitation than depressions, exhibit weaker trends that are less statistically robust.
Small EV in plasma of triple negative breast cancer patients induce intrinsic apoptosis in activated T cells
Authors: Mondal Sujan Kumar , Haas Derick , Han Jie , Whiteside Theresa L.
Published: August 2023

Small extracellular vesicles (sEV) in TNBC patients’ plasma promote T cell dysfunction and tumor progression. Here we show that tumor cell-derived exosomes (TEX) carrying surface PDL-1, PD-1, Fas, FasL, TRAIL, CTLA-4 and TGF-β1 induce apoptosis of CD8+T and CD4+T cells but spare B and NK cells. Inhibitors blocking TEX-induce receptor/ligand signals and TEX pretreatments with proteinase K or heat fail to prevent T cell apoptosis. Cytochalasin D, Dynosore or Pit Stop 2, partly inhibit TEX uptake but do not prevent T cell apoptosis. TEX entry into T cells induces cytochrome C and Smac release from mitochondria and caspase-3 and PARP cleavage in the cytosol. Expression of survival proteins is reduced in T cells undergoing apoptosis. Independently of external death receptor signaling, TEX entry into T cells induces mitochondrial stress, initiating relentless intrinsic apoptosis, which is responsible for death of activated T cells in the tumor-bearing hosts. The abundance of TEX in cancer plasma represents a danger for adoptively transferred T cells, limiting their therapeutic potential.
A chromosome-level genome assembly of Stenchaetothrips biformis and comparative genomic analysis highlights distinct host adaptations among thrips
Authors: Hu Qing-Ling , Ye Zhuang-Xin , Zhuo Ji-Chong , Li Jun-Min , Zhang Chuan-Xi
Published: August 2023

Insects have a limited host range due to genomic adaptation. Thysanoptera, commonly known as thrips, occupies distinct feeding habitats, but there is a lack of comparative genomic analyses and limited genomic resources available. In this study, the chromosome-level genome of Stenchaetothrips biformis, an oligophagous pest of rice, is assembled using multiple sequencing technologies, including PacBio, Illumina short-reads, and Hi-C technology. A 338.86 Mb genome is obtained, consisting of 1269 contigs with a contig N50 size of 381 kb and a scaffold N50 size of 18.21 Mb. Thereafter, 17,167 protein-coding genes and 36.25% repetitive elements are annotated. Comparative genomic analyses with two other polyphagous thrips, revealing contracted chemosensory-related and expanded stress response and detoxification gene families in S. biformis, potentially facilitating rice adaptation. In the polyphagous thrips species Frankliniella occidentalis and Thrips palmi, expanded gene families are enriched in metabolism of aromatic and anthocyanin-containing compounds, immunity against viruses, and detoxification enzymes. These expansion gene families play crucial roles not only in adapting to hosts but also in development of pesticide resistance, as evidenced by transcriptome results after insecticides treatment. This study provides a chromosome-level genome assembly and lays the foundation for further studies on thrips evolution and pest management.
DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors
Authors: Jimmidi Ravikumar , Chamakuri Srinivas , Lu Shuo , Ucisik Melek Nihan , Chen Peng-Jen , Bohren Kurt M. , Moghadasi Seyed Arad , Versteeg Leroy , Nnabuife Christina , Li Jian-Yuan , Qin Xuan , Chen Ying-Chu , Faver John C. , Nyshadham Pranavanand , Sharma Kiran L. , Sankaran Banumathi , Judge Allison , Yu Zhifeng , Li Feng , Pollet Jeroen , Harris Reuben S. , Matzuk Martin M. , Palzkill Timothy , Young Damian W.
Published: August 2023

The development of SARS-CoV-2 main protease (Mpro) inhibitors for the treatment of COVID-19 has mostly benefitted from X-ray structures and preexisting knowledge of inhibitors; however, an efficient method to generate Mpro inhibitors, which circumvents such information would be advantageous. As an alternative approach, we show here that DNA-encoded chemistry technology (DEC-Tec) can be used to discover inhibitors of Mpro. An affinity selection of a 4-billion-membered DNA-encoded chemical library (DECL) using Mpro as bait produces novel non-covalent and non-peptide-based small molecule inhibitors of Mpro with low nanomolar Ki values. Furthermore, these compounds demonstrate efficacy against mutant forms of Mpro that have shown resistance to the standard-of-care drug nirmatrelvir. Overall, this work demonstrates that DEC-Tec can efficiently generate novel and potent inhibitors without preliminary chemical or structural information.
Impact of exposing lithium metal to monocrystalline vertical silicon nanowires for lithium-ion microbatteries
Authors: Refino Andam Deatama , Adhitama Egy , Bela Marlena M. , Sadhujan Sumesh , Harilal Sherina , Eldona Calvin , Bremers Heiko , Bashouti Muhammad Y. , Sumboja Afriyanti , Stan Marian C. , Winter Martin , Placke Tobias , Peiner Erwin , Wasisto Hutomo Suryo
Published: August 2023

Silicon has attracted considerable attention for use as high-capacity anodes of lithium-ion microbatteries. However, its extreme volume change upon (de-)lithiation still poses a challenge for adoption as it leads to severe active lithium loss that shortens the cycle life. Here, we fabricate three-dimensional monocrystalline vertical silicon nanowires on a silicon wafer using low-cost metal-assisted chemical etching, then cover them with lithium using thermal evaporation prior to the battery operation as the pre-lithiation step, to investigate its impact on electrochemical performance. To reveal the underlying physical and electrochemical mechanisms, we also process a comparative planar monocrystalline silicon. We find that pre-lithiation results in improved (de-)lithiation behavior, especially in planar silicon-based cells, while silicon nanowire-based cells exhibit low capacity in early cycles. This study sheds light on the surface design and structural modification of monocrystalline silicon nanowires with respect to pre-lithiation by lithium thermal evaporation.
Prussian blue nano-enzyme-assisted photodynamic therapy effectively eradicates MRSA infection in diabetic mouse skin wounds
Authors: Tong Aidi , Tong Chunyi , Fan Jialong , Shen Jingyi , Yin Caiyun , Wu Zhou , Zhang Jiansong , Liu Bin
Published: August 2023

In the constructed CPB-Ce6 NPs, Ce6 killed MRSA by generating 1O2, CPB NPs used CAT activity to generate O2 and alleviate hypoxia, and Ce6 used O2 to enhance PDT. CPB-Ce6 NPs accelerated wound healing in diabetic mice infected with MRSA.
Ferromagnetism induced by in-plane strain in a bulk VS2-based superlattice: (LiOH)0.1VS2
Authors: Sun Ruijin , Deng Jun , Ma Yuxin , Hao Munan , Chen Xu , Meng Dezhong , Zhao Changchun , Du Shixuan , Jin Shifeng , Chen Xiaolong
Published: August 2023

(LiOH)0.1VS2 provide a new approach to induce ferromagnetism in bulk TMD materials.
K5Yb1−xEux(MoO4)4 phosphors: aperiodic structures and luminescence properties
Authors: Posokhova Svetlana M. , Morozov Vladimir A. , Zonov Egor M. , Deyneko Dina V. , Spassky Dmitry A. , Fedyunin Fedor D. , Belik Alexei A. , Pavlova Erzhena T. , Vasin Andrey A. , Lazoryak Bogdan I.
Published: August 2023

The influence of sintering conditions on structure and properties of K5Yb1−xEux(MoO4)4 was studied. A structure of β-K5Yb0.3Eu0.7(MoO4)4 was refined as incommensurately modulated. Luminescent intensity in different spectrum regions is demonstrated.
Base metal complexes featuring a new pyrazole-derived PCP pincer ligand
Authors: Schratzberger Heiko , Liebminger Lorenzo A. , Stöger Berthold , Veiros Luis F. , Kirchner Karl
Published: August 2023

The syntheses of various base metal complexes featuring a new pyrazole-derived pincer ligand containing a 1-methylpyrazole backbone tethered to two di(isopropyl)phosphine moieties via phenylene spacers are described.
Combining predictive and analytical methods to elucidate pharmaceutical biotransformation in activated sludge
Authors: Trostel Leo , Coll Claudia , Fenner Kathrin , Hafner Jasmin
Published: August 2023

EAWAG-PPS and enviPath are valuable tools to predict transformation products and elucidate biotransformation pathways of active pharmaceutical ingredients in activated sludge.
Effective mass accommodation for partitioning of organic compounds into surface films with different viscosities
Authors: Lakey Pascale S. J. , Cummings Bryan E. , Waring Michael S. , Morrison Glenn C. , Shiraiwa Manabu
Published: August 2023

We developed an effective mass accommodation coefficient for partitioning of organic compounds into indoor surface films, which can be efficiently implemented into indoor models for effective treatments of surface partitioning.
Trimester-specific associations of maternal dietary patterns with preterm birth: China Medical University birth cohort study
Authors: Hu Jiajin , Li Meihui , Li Chuang , Yin Shaowei , Tao Lin , Li Lin , Wan Ningyu , Liu Yilin , Liu Borui , Zheng Lu , Wang Xiaochuan , Yang Zhe , Ma Yanan , Qiao Chong , Wen Deliang , Liu Caixia
Published: August 2023

Maternal adherence to a fish-seafood pattern in the 1st and 2nd trimester was associated with higher and lower risk of preterm birth (PTB), respectively. A dairy-egg pattern score in the 2nd or 3rd trimester was associated with higher risk of PTB.
Process dependent interface strengthening, de-icing and EMI shielding performance in PEEK/CF laminates
Authors: Raj Rishi , Parasuram Sampath , Kumar S. , Bose Suryasarathi
Published: August 2023

CF/PEEK laminates were fabricated by optimization of processing parameters. The laminates prove airworthiness for potential applications in aerostructures by showing superior mechanical strength, high EMI shielding and de-icing properties.
Preparation of cellulose nanocrystal (CNCs) reinforced polylactic acid (PLA) bionanocomposites filaments using biobased additives for 3D printing applications
Authors: Agbakoba Victor Chike , Hlangothi Percy , Andrew Jerome , John Maya Jacob
Published: August 2023

This work presents the experimental steps taken towards the preparation of 3D printable bionanocomposites using polylactic acid (PLA) biopolymer containing 0.1, 0.5 and 1 wt% CNCs.
Anti-PEG antibodies enriched in the protein corona of PEGylated nanocarriers impact the cell uptake
Authors: Deuker Mareike F. S. , Mailänder Volker , Morsbach Svenja , Landfester Katharina
Published: August 2023

Anti-PEG antibodies present in blood samples of German donors were found to be enriched in the protein corona of PEGylated nanocarriers. This enrichment led to enhanced uptake in macrophages, counteracting the desired stealth effect of PEG.
Microfabrication of covalent organic framework-based magnetic bio-ceramic beads for defluoridation of water
Authors: Jeyaseelan Antonysamy , Viswanathan Natrayasamy , Kumar Ilango Aswin , Ansar Sabah
Published: August 2023

The magnetic hybrid material, namely, iron oxide/alginate–gelatin/hydroxyapatite/covalent organic framework (MAGHCOF)-based bio-hybrid beads were prepared and utilized for fluoride removal studies.
Insights into the superior singlet oxygen production for BiVO4/Bi4Ti3O12 S-scheme heterojunction catalysts
Authors: Hao Xuebing , Chen Yue , Liu Xintong
Published: August 2023

This study constructed BVO/BTO a S-scheme heterojunction, which constructed oxygen vacancy and facilitated the separation of charge carriers for the promising production of powerful 1O2.
Theoretical study of the direction of the excited-state intramolecular proton transfer of the HBS molecule
Authors: Zhou Qiao , Wang Hongxiang , Song Peng
Published: August 2023

Excited-state intramolecular proton transfer (PT), an important process in photosynthesis, has been widely available for fluorescence sensors and fluorescent probes.
N-Functionalized fluorophores: detecting urinary albumin and imaging lipid droplets
Authors: Ghorpade Mohini , Regar Ramprasad , Soppina Virupakshi , Kanvah Sriram
Published: August 2023

Sensing proteins and imaging sub-cellular organelles with N-sulfonyl pyridinium fluorophores.
Aryne and CO2-based formal [2 + 2 + 2] annulation to access tetrahydroisoquinoline-fused benzoxazinones
Authors: Liu Shiqi , Zhang Kun , Meng Yutong , Xu Jiaxi , Chen Ning
Published: August 2023

A three-component formal [2 + 2 + 2] annulation has been described from 3,4-dihydroisoquinolines, CO2, and benzynes, accessing tetrahydroisoquinoline-fused benzoxazinones in moderate to excellent yields.
The synthesis and development of poly(ε-caprolactone) conjugated polyoxyethylene sorbitan oleate-based micelles for curcumin drug release: an in vitro study on breast cancer cells
Authors: Shadmani Nasim , Gohari Sepehr , Kadkhodamanesh Azin , Ghaderinia Parivash , Hassani Maryam , Sharifyrad Motahare
Published: August 2023

The efficacy of PCL–T-M as a drug carrier for the delivery of curcumin against MCF-7 cells and future therapeutic investigations on breast cancer.
The alkoxy radical polymerization of N-vinylpyrrolidone in organic solvents: theoretical insight into the mechanism and kinetics
Authors: Vo Quan V. , Tram Truong Le Bich , Phuoc Hoang Loc , Hoa Nguyen Thi , Mechler Adam
Published: August 2023

The calculations validated the radical polymerization of NVP in organic solvents with propagation rate constants of 101–103 M−1 s−1.
Desulfurization of diesel via joint adsorption and extraction using a porous liquid derived from ZIF-8 and a phosphonium-type ionic liquid
Authors: Shu Chenhua , Zhao Min , Cheng Hua , Deng Yajie , Stiernet Pierre , Hedin Niklas , Yuan Jiayin
Published: August 2023

A type-III porous liquid was prepared through dispersing ZIF-8 in the ionic liquid [THTDP][BTI] and was used for the desulfurization of model diesel.
Enabling general chemistry students to take part in experimental design activities
Authors: Scoggin Jennifer , Smith K. Christopher
Published: August 2023

In this study, we analyzed how general chemistry students generated experimental designs corresponding to general chemistry questions such as the ones typically found in general chemistry textbooks. We found that students were very successful in including experimental design aspects that were explicitly mentioned in the general chemistry questions, but less successful in including other experimental design aspects. We also analyzed the outcomes of students engaging in the counterpart process – expressing general chemistry laboratory experiments as typical general chemistry questions. We found that that students were very successful in considering the various components associated with expressing the experiments when considering each of the various components one at a time, but less successful when considering the various components at the same time. Considerations and suggestions for implementing these types of activities to enable a wide variety of general chemistry students to take part in experimental design are discussed. Implications for research and teaching, including a consideration of ChatGPT, are also presented.
Electrification of glucose valorization over NiO/Ni foam
Authors: Sanghez de Luna Giancosimo , Tabanelli Tommaso , Velasco-Vélez Juan J. , Monti Eleonora , Ospitali Francesca , Albonetti Stefania , Cavani Fabrizio , Fornasari Giuseppe , Benito Patricia
Published: August 2023

Glucose electrochemical oxidation toward gluconic and glucaric acids over innovative NiO/Ni 3D foam, a mechanism investigation.
Surfactant-induced disaggregation of a quinoxaline AIEgen scaffold: aggregation aptitude in the solid and solution states
Authors: De Sagnik , Das Gopal
Published: August 2023

Comprehending the solid- and solution-state aggregation features of AIEgens is reported, along with the interaction of a cationic amphiphile with the probe through disaggregation.
Area difference between monolayers facilitates budding of lipid droplets from vesicles
Authors: Wang Meng , Yi Xin
Published: August 2023

Addition of phospholipids into the outer monolayer of a vesicle facilitates outward budding, while depletion of phospholipids from the outer monolayer leads to inward budding.
Experiments, molecular dynamics simulations, and quantum chemistry calculations on the effect of gemini surfactants' headgroup on the oil–water interfacial tension
Authors: Yan Zhihu , Wu Yanju , Zhao Min , Yu Li , Zhang Shibo
Published: August 2023

The polar order of Gemini surfactants obtained using the molecular polarity index (MPI) is C-1-2 > B-1-2 > A-1-2. C-1-2 has the most potent interaction with water molecules, which explains why C-1-2 performs best in the interfacial tension experiment.
A new method for fabrication of gel emulsions and their application in preparation of novel porous materials
Authors: Xue Min , Wang Gang , Lin Enrui , Sun Ping , Li Beibei , Li Pengna , Hua Shiying
Published: August 2023

The coordination self-assembly of ligand CDC6 and Tb3+ was used to fabricate new gel emulsions, and novel low-density porous materials containing metal complexes were obtained with such gel emulsions as templates.
Cyanobacteria-based double-mediated photo-microbial electrochemical cells are promising future energy sources for electricity generation and hydrogen production
Authors: Lee Youngrok , Lee Jinhwan , Kim Sunghyun
Published: August 2023

Photoelectrons generated from water oxidation in cyanobacteria are transferred to the anode by double mediators and used for photocurrent generation and H2 production. Photocurrent and hydrogen production were successfully achieved from DM-PMECs.
Designing n-type all-ionic thermoelectric polymers with improved air stability via a solution-processing anion exchange technique
Authors: Chen Nan (Louise) , Song Yunjia , Lee Taein , Mayarambakam Sasikumar , Katz Howard E.
Published: August 2023

We replaced Cl− ions with bulkier BF4 and PF6− in ionic thermoelectric polymers. BF4−-MADQUAT and PF6−-PDADMAC showed good ionic conductivity and reliable, reproducible Seebeck coefficients at 40% humidity and better air stability.
Correction: Large-scalable, ultrastable thin films for electromagnetic interference shielding
Authors: Park Jae Seo , Park Ji Yong , Lee Kyunbae , Cho Young Shik , Shin Hyunji , Jung Yeonsu , Park Chong Rae , Kim Taehoon , Kim Jae Ho , Yang Seung Jae
Published: August 2023

Correction for ‘Large-scalable, ultrastable thin films for electromagnetic interference shielding’ by Jae Seo Park et al., J. Mater. Chem. A, 2023, https://doi.org/10.1039/D3TA02862C.
Boltzmann-type cryogenic ratiometric thermometry based on Nd3+-doped LuVO4 phosphors
Authors: Kalinichev Alexey A. , Afanaseva Elena V. , Kolesnikov Evgenii Yu. , Kolesnikov Ilya E.
Published: August 2023

Simple Nd3+-doped LuVO4 nanocrystalline powder demonstrated superior thermometric performance as a Boltzmann-type ratiometric thermal sensor within a broad temperature range of 20–250 K.
Eu3+ activated BaF2 nanostructured thin films: fabrication and a combined experimental and computational study of the energy conversion process
Authors: Lo Presti Francesca , Pellegrino Anna Lucia , Milan Emil , Radicchi Eros , Speghini Adolfo , Malandrino Graziella
Published: August 2023

Metal–organic chemical vapor deposition has been applied to produce europium-doped BaF2 thin films on silicon and quartz substrates. A combined experimental and theoretical study has proved the downshifting properties of the film.
Test–Retest Reliability of Virtual Acoustic Space Identification Test in School-Going Children
Authors: Syeda Aisha , Nisha K. V. , Jain Chandni
Published: August 2023

Purpose:

The virtual acoustic space identification (VASI) test was designed to assess spatial-hearing acuity by simulating sound location perception in a closed field (under headphones). The utility of this tool in children can be asserted only if the test results are consistent across measurement sessions, which is evaluated in this study using test–retest reliability assessments.

Method:

The VASI test assessed the spatial abilities of 40 typically developing school-aged children aged 7–13 years (
M
age
= 10.47 ± 1.83 years, 22 boys, 18 girls). The test consisted of eight virtual location percepts (with 45° separation) produced under headphones (Sennheiser HD 569). Each spatial percept was presented randomly 7 times at 65 dB SPL. Each participant completed the assessment in three measurement sessions (baseline, intrasession, and intersession). The accuracy scores at each location and overall accuracy scores were compared across the sessions.

Results:

The Shapiro–Wilk test indicated that the VASI data were not normally distributed. Intraclass correlation coefficient analysis revealed excellent test–retest reliability of the overall accuracy scores and moderate-to-high reliability of location-specific scores. This was complimented by the low response variability of the overall and location-specific accuracy scores. The Bland–Altman analysis also indicated minimal bias in VASI accuracy scores across the three sessions.

Conclusions:

It can be concluded from the results that VASI is a reliable tool for assessing spatial-hearing acuity in school-aged children. The high test–retest reliability and ease of portability make the test highly relevant for classroom setups where early diagnosis and intervention of spatial deficits can play a critical role in determining the academic success of school-going children.
Clock synchronization based on pulse with propagation delay eliminated in wireless sensor networks
Authors: Liu Wei , Fan Ruijie , Mai Yiyuan , Wan Zehan
Published: August 2023

Clock synchronization is indispensable for numerous applications of wireless sensor networks (WSNs). When no common reference clock is available, the nodes must employ distributed synchronization techniques. This paper proposes, a distributed pulse‐based clock synchronisation approach, wherein the propagation delay is eliminated through signal ping‐pongs between neighbouring nodes. Such an approach can jointly estimate the clock skew and offset without requiring any reference clock. The whole synchronization process is completed at the physical (PHY) layer, effectively avoiding the random delay caused by packet queuing and retransmission. Simulation results show that the proposed approach can achieve higher synchronization accuracy compared with other existing methods.
Zero‐shot temporal event localisation: Label‐free, training‐free, domain‐free
Authors: Sun Li , Wang Ping , Wang Liuan , Sun Jun , Okatani Takayuki
Published: August 2023

Temporal event localisation (TEL) has recently attracted increasing attention due to the rapid development of video platforms. Existing methods are based on either fully/weakly supervised or unsupervised learning, and thus they rely on expensive data annotation and time‐consuming training. Moreover, these models, which are trained on specific domain data, limit the model generalisation to data distribution shifts. To cope with these difficulties, the authors propose a zero‐shot TEL method that can operate without training data or annotations. Leveraging large‐scale vision and language pre‐trained models, for example, CLIP, we solve the two key problems: (1) how to find the relevant region where the event is likely to occur; (2) how to determine event duration after we find the relevant region. Query guided optimisation for local frame relevance relying on the query‐to‐frame relationship is proposed to find the most relevant frame region where the event is most likely to occur. Proposal generation method relying on the frame‐to‐frame relationship is proposed to determine the event duration. The authors also propose a greedy event sampling strategy to predict multiple durations with high reliability for the given event. The authors’ methodology is unique, offering a label‐free, training‐free, and domain‐free approach. It enables the application of TEL purely at the testing stage. The practical results show it achieves competitive performance on the standard Charades‐STA and ActivityCaptions datasets.