bluuebunny/crossref_metadata_2025 huggingface dataset:
NCMHR advocates for recovery‐oriented services on many fronts
Authors: Sikinyi Luke
Published: August 2023

The National Coalition for Mental Health Recovery (NCMHR; www.ncmhr.org) was established in 2006 to ensure persons with lived experience of mental health challenges would have a voice to shape the development and implementation of mental health care and social policies at the national and state levels.
TAC urges NIMH to provide more SMI clinical research, funding
Authors: Canady Valerie A.
Published: August 2023

Continuing ongoing efforts to urge the National Institute of Mental Health (NIMH) to undertake more clinical research to help people with severe psychiatric disorders, the Treatment Advocacy Center (TAC) released a new report published Aug. 1 in Primary Care Companion for CNS Disorders.
Pedicled circumflex scapular artery perforator flap with intra‐axillary tunneling for axillary defect coverage after surgical excision of hidradenitis suppurativa: A case report and literature review
Authors: Meroni Matteo , Scaglioni Mario F.
Published: August 2023

Axillary defects represent a rather common issue in plastic surgery practice. Surgical resections related to skin disease are frequent in this region and their extension often requires soft tissue transfer for coverage. In this setting, locoregional pedicled flaps are usually preferred. The nearby tissues offer pliable but still resistant skin, which satisfy the “like‐with‐like” reconstructive principle. Over the years different procedures have been described for this purpose. Among them, a valuable and often underestimated technique is the circumflex scapular artery perforator flap (CSAP). This technique might be particularly suitable for thin but relatively large defects. Its main advantages are a low donor site morbidity, a very reliable anatomy, and a perforator pedicle able supply a large skin paddle. In the present work, we report the use of a pedicled vertical CSAP flap passed through the axillary canal in order to cover a 9 cm × 7 cm axillary defect after surgical excision of hidradenitis suppurativa resistant to conservative treatment. The perforator‐based pedicled presented two branches, which allowed us to harvest safely a large skin paddle, which limited its range of motion. For this reason, we opted for a passage through the axillary canal for the flap inset. The postoperative course was uneventful and full shoulder range of motion was obtained at 3 months follow‐up. Despite most of the descriptions of this flap available so far showed its employment for limb's reconstructions, we believe that it is a very useful tool also for locoregional coverage. Moreover, the unconventional passage below the axillary muscles allowed reaching the recipient site even with a shorter pedicle, such as the one encountered in this case.
Corrigendum to “Mathematical modelling of the semi‐Markovian random walk processes with jumps and delaying screen by means of a fractional order differential equation” [Math. Meth. Appl. Sci. 41(18) (2018). https://doi.org/10.1002/mma.5328]
Authors: Bandaliyev Rovshan A. , Nasirova Tamilla I. , Omarova Konul K.
Published: August 2023

In the paper mentioned in the title, we studied the semi‐Markovian random walk processes with jumps and delaying screen in zero. More precisely, we obtained a mathematical modeling of the semi‐Markov random walk processes with a delaying screen in zero, given in general form by means of fractional differential equation. In this note, we provide a correction to some minor technicality in the proof of Theorem 2 in the aforementioned paper.
Big data and single‐cell sequencing in acute myeloid leukemia research
Authors: Zou Yuxuan , Zhang Huiyuan , Hu Hongbo
Published: August 2023

The advancement of diverse technologies has led to a substantial increase in valuable biomedical data, particularly in the field of acute myeloid leukemia (AML). Effective utilization of this wealth of data is crucial for attaining a comprehensive and in‐depth understanding of AML, thereby facilitating optimal diagnosis, treatment, and prognosis. Among the various approaches to data acquisition, single‐cell sequencing has emerged as an impressive tool. The developments of single‐cell sequencing methods have empowered researchers to analyze the genome, transcriptome, proteome, and epigenome data at the single‐cell level. It also offers a means to uncover fine information, providing unique prognostic insights and aiding in the identification of therapeutic targets. Furthermore, it enhances our understanding of AML heterogeneity, clonal evolution, and resistance mechanisms, ultimately leading to the development of better treatment strategies. In this review, we present an overview of AML as well as single‐cell sequencing technologies, then explore their potential contributions to AML research in different aspects, and provide some information about resources and data processing.
Broadband metasurface antenna with size‐varying square patches
Authors: Xie Bingchuan , Zhang Rui , Wang Huanhuan , Wang Yong , Wang Zhicheng , Liu Kegang , Wang Jing
Published: August 2023

This paper proposes a broadband metasurface antenna with size‐varying patches. The metasurface radiator is fed by a microstrip line through a coupling slot on the ground. By varying two parameters of the square patches, great mode controllability can be achieved, resulting in wideband and stable gain. Furthermore, the added slotted metal square ring can effectively improve radiation gain. We designed and tested a C‐band wideband antenna consisting of 4  4 novel radiator units. The measured impedance bandwidth and 2‐dB gain bandwidth are 59% (4.3–7.9 GHz) and 44.1% (4.6–7.2 GHz), respectively. The designed antenna has a low profile of 0.09 .
An anisotropic broadband coding metasurface based on ultralight graphene‐assembled film
Authors: Luo Kaolin , Zu Haoran , Song Rongguo , Xin Yitong , Guo Jiannan , Ye Dong , Xu Ming , Huang Guan‐Long , He Daping
Published: August 2023

As theoretical research further develops, coding metasurfaces have been widely studied and applied due to their uniqueness in digital characterization and sequence arrangement. In this work, based on highly conductive graphene‐assembled film (GAF), an ultralight anisotropic broadband coding metasurface (ABCM) is proposed. The GAF ABCM consists of 16 units with specific phase responses and enables complete metal substitution. By arranging the unit cells in a specific order, the GAF ABCM realizes the functions of anomalous reflection, polarization conversion, and radar cross‐section (RCS) reduction. Results validate that the GAF ABCM has a measured 10 dB normal incidence backward RCS reduction within the working frequency band of 7–18 GHz, which fully covers the X‐band and Ku‐band for radar application. Furthermore, due to the lightweight property of GAF, the density of the GAF ABCM is only 0.06 g/cm3 (surface mass density of 0.038 g/cm2). All results indicate that the lightweight GAF metasurface is promising in radar stealth and communication fields.
Unblocking the ulnar nerve: It takes time
Authors: Hearn Sandra L. , Jorgensen Shawn P. , Robinson Lawrence R.
Published: August 2023

See article on pages 722–728 in this issue.
Children patients with COVID‐19: How can parental and peer support lessen the psychological burden of isolation
Authors: Alrashidi Nojoud , Ahmed Faransa A. , Abdelmonem Huwida H. , Almowafy Abeer A. , Abed El‐fatah Ola A. , Elalem Omaim M. , Behilak Sahar G. , Syan Shadia A. , Sayed Mervat A. , Mohammed Hanan A. , Hussien Mona F. , Ibrahim Mervat E. , AlAbd Asmaa M. , Mohamed Rasha A. , Marzouk Salwa A. , Abdel Wahed Wafaa Y. , Atwa Zeze T. , Mohamed Sayeda M.
Published: August 2023

Aim

To assess the effect of parental and peer support on children's self‐esteem during the isolation period in COVID‐19‐infected children is the main objective of this study.

Design

This is a descriptive cross‐sectional study. One hundred ninety children with a confirmed diagnosis of COVID‐19 were included.

Methods

A survey questionnaire to assess family and children's demographic characteristics was used for this study. A 13‐item scale to assess parental support during the isolation period and a 10‐item scale to assess peers' support during the isolation period were evaluated. Along with it, a 10‐item scale to assess self‐esteem during the isolation period was also measured.

Results

Home isolation was associated with higher parental and peer support scores than hospital isolation. The mean age of study participants was 13.23 ± 4.05 years; 52.6% were isolated at home versus 47.4% in hospital isolation. Phone calling and WhatsApp/messenger chat were methods of communication for 44.2% and 33.2% of patients, respectively. 6.3% of them had no method of communication. Child self‐esteem was significantly affected by both parental and peer support during isolation. The increase in pronounced negative psychological effects such as disorientation, anger, low self‐esteem and post‐traumatic distress may be caused by a lack of parental care.

No patient or public contribution to this study

Patients or the general public were not involved in the design, analysis or interpretation of the data in this study. The study's aim and objectives were developed based on children's self‐esteem, which was limited by questionnaire data information, so the researchers completed demographic and disease‐related questionnaires by interviewing them.
Enhanced mechanical characteristics of polylactic acid/tamarind kernel filler green composite filament for 3D printing
Authors: Nagarjun J. , Kanchana J. , Rajeshkumar G. , Anto Dilip A.
Published: August 2023

The significance and interest of printing green composites in three dimensions have recently grown, especially in light of the possibility of reusing waste to produce green fillers that can reduce the cost of biopolymers without compromising their processability and performance outcomes from a mechanical and environmental perspective. In the current work, the kernel powder obtained from the seeds of Tamarindus indica (TI) was added to polylactic acid (PLA) and extruded as a filament in the single screw extruder. It was then printed using an open source Fused Deposition Modeling printer and investigated for its density, mechanical, surface, and morphological characteristics. It was found that the composite performed better when the filler concentration was maintained at 2%, but when it went beyond that, the performance depreciated because of the rapid rise in material voids. When compared with a neat PLA matrix, 2% TI filler offered better overall strength, with increments of 12.64%, 19.87%, and 15.57% in tensile, compression, and flexural strength, respectively. The addition of TI filler was found to promote crystallization within the PLA matrix, leading to a higher degree of crystallinity which have contributed to higher strength. The morphological study demonstrated that the occurrence of uniform filler distribution and inter‐layer randomized bonding at 2% TI/PLA offered superior strength, whereas at higher TI concentrations it led to pullout and delamination. On the other hand, the hardness of the composite increased proportionally to the concentration of the fillers.
Caution to psychiatry ward: COVID‐19 pneumonia can manifest weeks or months after testing positive with a PCR test in individuals on preexisting immune‐suppressing medication
Authors: Nakano Masaki , Funayama Michitaka , Wakisaka Riko , Takata Taketo , Kudo Shun , Kuramochi Shin , Koreki Akihiro , Ogino Satoyuki , Ishida Takuto , Uchida Hiroyuki , Mimura Masaru
Published: August 2023

Background

Some patients are reported to develop depression immediately after COVID‐19 infection. Typically, hospitalization is arranged a week to 10 days after symptom onset to avoid outbreak in the psychiatric ward when infectivity is almost eliminated. However, in patients on immunosuppressive drugs, infection is known to persist beyond the 10th day after testing positive with a polymerase chain reaction (PCR) test.

Case Presentation

We present a patient with follicular lymphoma who was receiving immune‐suppressing medication and contracted a COVID‐19 infection; she developed severe depression and eventually required hospitalization 10 days after symptom onset or 5 days after the COVID‐19 infection‐related symptoms disappeared. Although the patient did not exhibit any symptom of pneumonia upon admission, she developed COVID‐19 pneumonia 3 weeks after the initial positive test. She received intravenous infusion of the antiviral drug remdesivir, which led to the improvement of pneumonia, and she was discharged on day 32 from testing COVID‐19 positive. However, COVID‐19 pneumonia recurred on days 64 and 74.

Conclusion

This is the first report of COVID‐19 pneumonia developing in a psychiatric ward in a patient on immunosuppressive drugs, weeks to months after testing positive with a PCR test. When patients with compromised immune function, such as those on immunosuppressant medication or those with human immunodeficiency virus disease, are admitted to a psychiatric ward, careful monitoring of the risk of recurrence and sufficient consideration for infection control measures are necessary to avoid outbreaks.
Heritable induced resistance in Arabidopsis thaliana: Tips and tools to improve effect size and reproducibility
Authors: Furci L. , Pascual‐Pardo D. , Tirot L. , Zhang P. , Hannan Parker A. , Ton J.
Published: August 2023

Over a decade ago, three independent studies reported that pathogen‐ and herbivore‐exposed Arabidopsis thaliana produces primed progeny with increased resistance. Since then, heritable induced resistance (h‐IR) has been reported across numerous plant‐biotic interactions, revealing a regulatory function of DNA (de)methylation dynamics. However, the identity of the epi‐alleles controlling h‐IR and the mechanisms by which they prime defense genes remain unknown, while the evolutionary significance of the response requires confirmation. Progress has been hampered by the relatively high variability, low effect size, and sometimes poor reproducibility of h‐IR, as is exemplified by a recent study that failed to reproduce h‐IR in A. thaliana by Pseudomonas syringae pv. tomato (Pst). This study aimed to improve h‐IR effect size and reproducibility in the A. thaliana–Pst interaction. We show that recurrent Pst inoculations of seedlings result in stronger h‐IR than repeated inoculations of older plants and that disease‐related growth repression in the parents is a reliable marker for h‐IR effect size in F1 progeny. Furthermore, RT‐qPCR‐based expression profiling of genes controlling DNA methylation maintenance revealed that the elicitation of strong h‐IR upon seedling inoculations is marked by reduced expression of the chromatin remodeler DECREASE IN DNA METHYLATION 1 (DDM1) gene, which is maintained in the apical meristem and transmitted to F1 progeny. Two additional genes, MET1 and CHROMOMETHYLASE3 (CMT3), displayed similar transcriptional repression in progeny from seedling‐inoculated plants. Thus, reduced expression of DDM1, MET1, and CMT3 can serve as a marker of robust h‐IR in F1 progeny. Our report offers valuable information and markers to improve the effect size and reproducibility of h‐IR in the A. thaliana–Pst model interaction.
‘DALZ 1701’, a third‐generation interspecific zoysiagrass hybrid
Authors: Chandra A. , Genovesi A. D. , Fry J. D. , Patton A. J. , Meeks M. , Braun R. C. , Xiang M. , Chhetri M. , Kennelly M.
Published: August 2023

‘DALZ 1701’ (Reg no. CV‐292, PI 702798) is a third‐generation hybrid resulting from mating interspecific hybrid ‘TAES 5723‐47’ with Zoysia japonica (Steud.) ‘Meyer’. In the 2019 National Evaluation Turfgrass Program, which ran from 2019 to 2022 in 15 locations, DALZ 1701 was put to the test. In 9 of 13 locations, DALZ 1701 established more quickly than Meyer, similarly to Emerald and Zeon but slower than Empire. DALZ 1701's turfgrass quality was generally better than Meyer's and on par with that of Emerald, Empire, and Zeon. Compared with Meyer, DALZ 1701 displays a dark green genetic color. In Dallas, TX, DALZ 1701 maintained its quality under drought stress more effectively than Meyer and similarly to Emerald, Empire, and Zeon; however, it had more wilt avoidance than Emerald and Zeon. Like Meyer and Innovation, DALZ 1701 showed freezing tolerance but had improved fall color retention. DALZ 1701 appeared to have greater tolerance than Meyer to large patch (Rhizoctonia solani Kühn), spring yellowing [take‐all patch (Gaeumannomyces graminis (Sacc.) von Arx & D. Olivier)], hunting billbug (Sphenophorus venatus vestitus Chittenden), and zoysiagrass mite (Eriophyes zoysiae Baker, Kono, and O'Neill) damage. Additionally, DALZ 1701 has shown quality comparable to Diamond and Palisades but superior to Meyer under moderate shade in Dallas, TX. In the transition zone and southern portions of the United States, where zoysiagrass is widely grown, DALZ 1701 is adaptable to a variety of conditions.
Validating a fear‐of‐falling–related activity avoidance scale in lower limb prosthesis users
Authors: Rosenblatt Noah J. , Major Matthew J. , Manesh Bobak , Schneider Kristin , Miller Steven A.
Published: August 2023

Background

Limited available data suggest that fear of falling (FoF) may be common among lower limb prosthesis users (LLPUs) and associated with negative rehabilitation outcomes. The impact of FoF on outcomes may be exacerbated when fear leads to self‐imposed declines in activity. There is a need to identify the validity of fear‐of‐falling–related activity avoidance scales in LLPUs.

Objective

To evaluate the convergent, discriminant, and known‐group construct validity of the modified Survey of Activities and FoF in the Elderly (mSAFE) for LLPUs. Secondarily, we sought to determine if the mSAFE scale could be reduced without losing information regarding construct validity.

Design

Online survey.

Setting

Not applicable.

Participants

Fifty‐nine persons with unilateral or bilateral amputation at the transtibial or transfemoral level, with ≥6 months experience using a definitive prosthesis for activities other than transfers.

Intervention

Participants completed an online survey that consisted of the mSAFE and questions to assess FoF (yes/no), fear‐of‐falling–related activity avoidance (yes/no), as well as previously validated scales capturing related and unrelated constructs. T‐tests were used to compare mSAFE score between yes/no respondents for known‐group construct validity. Correlations between mSAFE and previously validated surveys assessed convergent and discriminant validity. Analyses were repeated on a reduced number of mSAFE items following a redundancy analysis.

Main Outcome Measures

Not applicable.

Results

Significant correlation coefficients of |0.440–0.825| were found for convergent validity with evidence of known‐group construct validity (p < .021 for all comparisons). There was evidence for discriminant validity, with non‐significant associations for two‐of‐three correlations. Results from validity analyses for a shortened 6‐item mSAFE were similar to that for the full scale.

Conclusion

This study provided initial evidence regarding validity of the mSAFE as a measure to assess fear‐of‐falling–related activity avoidance in LLPUs. A 6‐item scale may be appropriate if the full scale would be taxing or time‐consuming.
Synthesis, characterization, and photo‐responsiveness of liquid metal/azo polymer hybrid material
Authors: Zhang Wenlong , He Yaning
Published: August 2023

Liquid metals have garnered increasing attention as an emerging class of functional materials in recent years. In this work, an azo polymer coat with photo‐responsive properties is successfully applied onto the surface of liquid metal through reversible addition‐fragmentation chain transfer (RAFT) polymerization. The photo‐responsiveness of the resulting liquid metal/azo polymer hybrid material is thoroughly investigated. Liquid metal nanodroplets grafted with azo polymers exhibit exceptional ultraviolet and near infrared photo‐responsiveness due to photothermal effect of liquid metal and isomerization of azo polymer.
The summer heatwave in 2022 and its role in changing permafrost and periglacial conditions at a historic mountain pass in the Eastern Alps (Hochtor, Hohe Tauern Range, Austria)
Authors: Kellerer‐Pirklbauer Andreas , Eulenstein Julia
Published: August 2023

Air temperatures in Europe in 2022 had been the highest on record for the meteorological summer season [June, July and August (JJA)], with +1.3°C above the 1991–2020 average. We studied the effects of recent warming on permafrost and periglacial conditions at a historical mountain pass in the Eastern Alps (Hochtor, 2,576 m asl, 47.08°N, 12.84°E). We used ground temperature data (2010–2022), repeated electrical resistivity tomography measurements (2019, 2022) and auxiliary data dating back to Roman times. We quantified permafrost conditions, evaluated frost‐related weathering and slope processes and assessed the impact of atmospheric warming on it. Results show that summer ground surface temperatures increased by 2.5°C between 1891–1920 and 1991–2020, whereas frost‐related weathering and periglacial processes decreased. The summers of 2003, 2015, 2019 and 2022 were the four warmest ones in 1887–2022. Hochtor changed in 2010–2022 from an active permafrost site to an inactive one with supra‐permafrost talik. A general three‐layer structure was quantified for all three ERT profiles measured. The middle, 5–10 m thick layer is ice‐poor permafrost detected in 2019, whose existence, although smaller, was confirmed in 2022. Resistivity decreased at the three profiles by 3.9% to 5.2% per year, suggesting permafrost degradation. We interpret the resistivity changes between the summers of 2019 and 2022 as a long‐term signal of permafrost degradation and not as the single effect of the summer heatwave in 2022. As our data show how rapidly permafrost degrades and as we face an even warmer climate for the remaining part of the 21st century, we expect that near‐surface permafrost at the Hochtor site will soon be history.
Supporting urban greenspace with microbial symbiosis
Authors: Stewart Justin D. , Kiers E. Toby , Anthony Mark A. , Kiers A. Haven
Published: August 2023

Societal Impact Statement

Cities are stressful environments for plants, plagued by heat, pollution, and biodiversity loss. As a result, plant communities tend to suffer in green roofs, parks, and living walls. Finding solutions to help plants grow in stressful environments is a goal of the sustainable city. One solution is to better incorporate plant–microbe symbiosis in green architecture. Symbiotic fungi and bacteria can provide nutrients, water, and help plants to cope with urban stress. The reconceptualization of green infrastructure from a microbial‐focused perspective has the potential to improve plant health, growth, and diversity in cities.

Plant communities in cities help maintain the health and stability of urban ecosystems and inhabitants. Ensuring that greenspace is healthy and productive is a key goal of green infrastructure and landscape architecture (GILA). However, cities are stressful environments for plants. In natural ecosystems, plants live in symbiosis with fungi, bacteria, and other microbes that can help alleviate stress. Microbial communities may also help with stress associated with urban environments. Incorporating mutualistic symbioses into GILA is a sustainable way to enhance urban greenspace. Here, we address key stressors for GILA in cities, including dependency on fertilizers, pathogens, drought, fewer pollinators, pollution, and reduced plant biodiversity. For each of these stressors, we discuss how symbiotic fungi and bacteria can help mitigate these issues, including case‐use scenarios. We conclude with new approaches to deliberately incorporate mutualisms in cities and open dialogues with stakeholders.
An integrated approach of NMR experiments and MD simulations visualizes structural dynamics of a cyclic multi‐domain protein
Authors: Sorada Tomoki , Walinda Erik , Shirakawa Masahiro , Sugase Kenji , Morimoto Daichi
Published: August 2023

Cyclization can stabilize the structure of proteins, as previously demonstrated in single‐domain proteins. Although Lys48‐linked polyubiquitin, a multi‐domain protein, is also known to be cyclized in human cells, the structural effects of cyclization remain unclear. Here, we examined the impact of cyclization on the structural stability and dynamics of cyclic Lys48‐linked diubiquitin (Ub2). As expected, cyclization increased the thermal stability of Ub2 and its resistance to proteolytic digestion, indicating that cyclization stabilized the structure of Ub2. Furthermore, cyclization repressed the interdomain motion in Ub2, but cyclic Ub2 still exhibited microsecond conformational exchange in NMR relaxation dispersion experiments. A series of long coarse‐grained (CG) MD simulations visualized how cyclization slowed down the intrinsic nanosecond open–closed domain motion of Ub2 to microseconds. Thus, CG‐MD analysis helped to explain the unexpected NMR relaxation results, thereby facilitating characterization of the structural stabilization of cyclic Ub2.
De novo design of monomeric helical bundles for pH‐controlled membrane lysis
Authors: Goldbach Nicolas , Benna Issa , Wicky Basile I. M. , Croft Jacob T. , Carter Lauren , Bera Asim K. , Nguyen Hannah , Kang Alex , Sankaran Banumathi , Yang Erin C. , Lee Kelly K. , Baker David
Published: August 2023

Targeted intracellular delivery via receptor‐mediated endocytosis requires the delivered cargo to escape the endosome to prevent lysosomal degradation. This can in principle be achieved by membrane lysis tightly restricted to endosomal membranes upon internalization to avoid general membrane insertion and lysis. Here, we describe the design of small monomeric proteins with buried histidine containing pH‐responsive hydrogen bond networks and membrane permeating amphipathic helices. Of the 30 designs that were experimentally tested, all expressed in Escherichia coli, 13 were monomeric with the expected secondary structure, and 4 designs disrupted artificial liposomes in a pH‐dependent manner. Mutational analysis showed that the buried histidine hydrogen bond networks mediate pH‐responsiveness and control lysis of model membranes within a very narrow range of pH (6.0–5.5) with almost no lysis occurring at neutral pH. These tightly controlled lytic monomers could help mediate endosomal escape in designed targeted delivery platforms.
Direct observation of negative cooperativity in a detoxification enzyme at the atomic level by Electron Paramagnetic Resonance spectroscopy and simulation
Authors: Bogetti Xiaowei , Bogetti Anthony , Casto Joshua , Rule Gordon , Chong Lillian , Saxena Sunil
Published: August 2023

The catalytic activity of human glutathione S‐transferase A1‐1 (hGSTA1‐1), a homodimeric detoxification enzyme, is dependent on the conformational dynamics of a key C‐terminal helix α9 in each monomer. However, the structural details of how the two monomers interact upon binding of substrates is not well understood and the structure of the ligand‐free state of the hGSTA1‐1 homodimer has not been resolved. Here, we used a combination of electron paramagnetic resonance (EPR) distance measurements and weighted ensemble (WE) simulations to characterize the conformational ensemble of the ligand‐free state at the atomic level. EPR measurements reveal a broad distance distribution between a pair of Cu(II) labels in the ligand‐free state that gradually shifts and narrows as a function of increasing ligand concentration. These shifts suggest changes in the relative positioning of the two α9 helices upon ligand binding. WE simulations generated unbiased pathways for the seconds‐timescale transition between alternate states of the enzyme, leading to the generation of atomically detailed structures of the ligand‐free state. Notably, the simulations provide direct observations of negative cooperativity between the monomers of hGSTA1‐1, which involve the mutually exclusive docking of α9 in each monomer as a lid over the active site. We identify key interactions between residues that lead to this negative cooperativity. Negative cooperativity may be essential for interaction of hGSTA1‐1 with a wide variety of toxic substrates and their subsequent neutralization. More broadly, this work demonstrates the power of integrating EPR distances with WE rare‐events sampling strategy to gain mechanistic information on protein function at the atomic level.
Study on the microscopic mechanism of adsorption and diffusion of hydrocarbon oil drops on coal surface using molecular dynamics simulations
Authors: Zhao Dan , Liu Xiaoqing
Published: August 2023

Flotation of fine coal particles usually uses oil collectors, but the micromechanisms need to be more defined due to the complex structure and abundant functional groups on the surface of coal bodies [Correction added after first online publication on 16 October 2023: “refined” was changed to “defined” in the first sentence of the article abstract.]. The adsorption spreading behavior and interfacial properties of nonpolar oil drops on flat low‐order coal (LOC) and high‐order coal (HOC) surfaces were investigated in depth using molecular dynamics (MD) simulations, while the effects of different functional groups on LOC surfaces were also considered. The results showed that the contact angle, contact area and interaction energy of oil drops adsorbed on the LOC and HOC surfaces at simulated equilibrium in aqueous environment were 77.68°, 621.49 Å2, −140.94 kcal/mol; 53.98°, 962.14 Å2, and −195.13 kcal/mol, respectively. The smaller the equilibrium contact angle between the oil drops and the surface, the larger the contact area and the larger the absolute value of the interaction energy, the better the spreading effect of the oil drops and the easier the surface is to flotation. Compared with the HOC surface, the oil drops could not displace the water molecules on the LOC surface better and spread poorly on its surface, and the migration rate was higher. This was caused by the abundant functional groups on the surface of LOC. The type of functional group significantly affects the interaction of nonpolar oil drops with hydrophilic surfaces, with the order of adsorption strength being CH3 > COCH3 > OH > COOH. The formation of a dense hydrated film of oil drops on the COOH surface was an important reason for the difficulty of flotation on the LOC surface. MD elucidated the mechanism of action of nonpolar oil collectors on LOC and HOC surfaces, which is a guide for efficient flotation on LOC surfaces.
Paracrine regulation of granulosa cell development in the antral follicles in mammals
Authors: Sugiura Koji , Maruyama Natsumi , Akimoto Yuki , Matsushita Kodai , Endo Tsutomu
Published: August 2023

Background

Development of ovarian follicles is regulated by a complex interaction of intra‐ and extra‐follicular signals. Oocyte‐derived paracrine factors (ODPFs) play a central role in this process in cooperation with other signals.

Methods

This review provides an overview of the recent advances in our understanding of the paracrine regulation of antral follicle development in mammals. It specifically focuses on the regulation of granulosa cell development by ODPFs, along with other intrafollicular signals.

Main Findings

Bi‐directional communication between oocytes and surrounding cumulus cells is a fundamental mechanism that determines cumulus cell differentiation. Along with estrogen, ODPFs promote the expression of forkhead box L2, a critical transcription factor required for mural granulosa cells. Follicle‐stimulating hormone (FSH) facilitates these processes by stimulating estrogen production in mural granulosa cells.

Conclusion

Cooperative interactions among ODPFs, FSH, and estrogen are critical in determining the fate of cumulus and mural granulosa cells, as well as the development of oocytes.
Nanomaterials‐Enabled Physicochemical Antibacterial Therapeutics: Toward the Antibiotic‐Free Disinfections
Authors: Xing Zhenyu , Guo Jiusi , Wu Zihe , He Chao , Wang Liyun , Bai Mingru , Liu Xikui , Zhu Bihui , Guan Qiuyue , Cheng Chong
Published: August 2023

Bacterial infection continues to be an increasing global health problem with the most widely accepted treatment paradigms restricted to antibiotics. However, the overuse and misuse of antibiotics have triggered multidrug resistance of bacteria, frustrating therapeutic outcomes, and leading to higher mortality rates. Even worse, the tendency of bacteria to form biofilms on living and nonliving surfaces further increases the difficulty in confronting bacteria because the extracellular matrix can act as a robust barrier to prevent the penetration of antibiotics and resist environmental damage. As a result, the inability to eliminate bacteria and biofilms often leads to persistent infection, implant failure, and device damage. Therefore, it is of paramount importance to develop alternative antimicrobial agents while avoiding the generation of bacterial resistance to prevent the large‐scale growth of bacterial resistance. In recent years, nano‐antibacterial materials have played a vital role in the antibacterial field because of their excellent physical and chemical properties. This review focuses on new physicochemical antibacterial strategies and versatile antibacterial nanomaterials, especially the mechanism and types of 2D antibacterial nanomaterials. In addition, this advanced review provides guidance on the development direction of antibiotic‐free disinfections in the antibacterial field in the future.
Engineering of Siloxanes for Stabilizing Silicon Anode Materials
Authors: Wang Yanpeng , Attam Abdulmajid , Fan Hongguang , Zheng Wansu , Liu Wei
Published: August 2023

Silicon (Si) is considered the most promising anode material for the next generation of lithium‐ion batteries (LIBs) because of its high theoretical specific capacity and abundant reserves. However, the volume expansion of silicon in the cycling process causes the destruction of the electrode structure and irreversible capacity loss. As a result, the commercial application of silicon materials is greatly hindered. In recent years, siloxane‐based organosilicon materials have been widely used in silicon anode of LIBs because of their unique structure and physical and chemical properties, and have shown excellent electrochemical properties. The comprehensive achievement of siloxanes in silicon‐based LIBs can be understood better through a systematic summary, which is necessary to guide the design of electrodes and achieve better electrochemical performance. This paper systematically introduces the unique advantages of siloxane materials in electrode, surface/interface modification, binder, and electrolyte. The challenges and future directions for siloxane materials are presented to enhance their performance and expand their application in silicon‐based LIBs.
Inhibiting HER3 Hyperphosphorylation in HER2‐Overexpressing Breast Cancer through Multimodal Therapy with Branched Gold Nanoshells
Authors: Villar‐Alvarez Eva , Golán‐Cancela Irene , Pardo Alberto , Velasco Brenda , Fernández‐Vega Javier , Cambón Adriana , Al‐Modlej Abeer , Topete Antonio , Barbosa Silvia , Costoya José A. , Taboada Pablo
Published: August 2023

Treatment failure in breast cancers overexpressing human epidermal growth factor receptor 2 (HER2) is associated mainly to the upregulation of human epidermal growth factor receptor 3 (HER3) oncoprotein linked to chemoresitence. Therefore, to increase patient survival, here a multimodal theranostic nanoplatform targeting both HER2 and HER3 is developed. This consists of doxorubicin‐loaded branched gold nanoshells functionalized with the near‐infrared (NIR) fluorescent dye indocyanine green, a small interfering RNA (siRNA) against HER3, and the HER2‐specific antibody Transtuzumab, able to provide a combined therapeutic outcome (chemo‐ and photothermal activities, RNA silencing, and immune response). In vitro assays in HER2+/HER3+ SKBR‐3 breast cancer cells have shown an effective silencing of HER3 by the released siRNA and an inhibition of HER2 oncoproteins provided by Trastuzumab, along with a decrease of the serine/threonine protein kinase Akt (p‐AKT) typically associated with cell survival and proliferation, which helps to overcome doxorubicin chemoresistance. Conversely, adding the NIR light therapy, an increment in p‐AKT concentration is observed, although HER2/HER3 inhibitions are maintained for 72 h. Finally, in vivo studies in a tumor‐bearing mice model display a significant progressively decrease of the tumor volume after nanoparticle administration and subsequent NIR light irradiation, confirming the potential efficacy of the hybrid nanocarrier.
Energy‐Efficient and Self‐Powered Green Ammonia Synthesis by Electrochemical Nitrate Reduction Combined with Hydrazine Oxidation
Authors: Lim Chaeeun , Roh Hyogyun , Kim Eun Ho , Kim Hangyeol , Park Taiho , Lee Donghwa , Yong Kijung
Published: August 2023

To achieve the global goal of carbon neutrality, recently, emphasis has been placed on developing green ammonia production method to replace the Haber–Bosch process. Nitrate reduction reaction (NO3RR) has received considerable attention, especially for electrochemically producing ammonia from nitrate and simultaneously purifying wastewater. This study first demonstrates that the combination of NO3RR with hydrazine oxidation reaction (HzOR) is an energy efficient green ammonia production method, which overcomes the sluggish water oxidation limitation. Tungsten phosphide (WP) nanowires (NWs) are prepared as cathode NO3RR electrocatalysts, which exhibit a high Faradaic efficiency in both neutral (≈93%) and alkaline (≈85%) media. Furthermore, they show a high bifunctional activity in anodic reactions and exhibit a low potential 0.024 V for generating a current density of 10 mA cm−2 in HzOR. The overall NO3RR‐HzOR required an impressively low potential of 0.24 V for generating a current density of 10 mA cm−2; this potential is much lower than those required for NO3RR‐OER (1.53 V) and NO3RR‐UOR (1.31 V). A self‐powered ammonia production system, prepared by assembling an NO3RR‐HzOR with a perovskite solar cell, displays a high ammonia production rate of 1.44 mg cm−2 h−1. A single PV cell provides enough driving voltage in the PV‐EC due to low required potential. This system facilitates unassisted green ammonia synthesis with a low energy consumption and also allows upcycling of wastewater to produce useful fuel.
Porous Carbon Template Decorated with MOF‐Driven Bimetallic Phosphide: A Suitable Heterostructure for the Production of Uninterrupted Green Hydrogen via Renewable Energy Storage Device
Authors: Afshan Mohd , Sachdeva Parrydeep Kaur , Rani Daya , Das Subhabrata , Pahuja Mansi , Siddiqui Shumile Ahmed , Rani Seema , Ghosh Rishita , Chaudhary Nikita , Jyoti  , Riyajuddin Sk , Bera Chandan , Ghosh Kaushik
Published: August 2023

Water splitting via an uninterrupted electrochemical process through hybrid energy storage devices generating continuous hydrogen is cost‐effective and green approach to address the looming energy and environmental crisis toward constant supply of hydrogen fuel in fuel cell driven automobile sector. The high surface area metal‐organic framework (MOF) driven bimetallic phosphides (ZnP2@CoP) on top of CNT‐carbon cloth matrix is utilized as positive and negative electrodes in energy storage devices and overall water splitting. The as‐prepared positive electrode exhibits excellent specific capacitances/capacity of 1600 F g−1/800 C g−1 @ 1A g−1 and the corresponding hybrid device reveals an energy density of 83.03 Wh kg−1 at power density of 749.9 W kg−1. Simultaneously, the electrocatalytic performance of heterostructure shows overpotentials of 90 mV@HER and 204 mV@OER at current density of 10 and 20 mA cm−2, respectively in alkaline electrocatalyzer. Undoubtedly, it shows overall water splitting with low cell voltage of 1.53 V@10 mA cm−2 having faradic and solar‐to‐hydrogen conversion efficiency of 98.81% and 9.94%, respectively. In addition, the real phase demonstration of the overall water‐splitting is performed where the electrocatalyzer is connected with a series of hybrid supercapacitor devices powered up by the 6 V standard silicon solar panel to produce uninterrupted green H2.
Controlling Surface Chemical Inhomogeneity of Ni2P/MoNiP2/MoP Heterostructure Electrocatalysts for Efficient Hydrogen Evolution Reaction
Authors: Bu Xiuming , Yin Di , Chen Dong , Quan Quan , Yang Zhe , Yip SenPo , Wong Chun‐Yuen , Wang Xianying , Ho Johnny C.
Published: August 2023

Crystalline/amorphous phase engineering is demonstrated as a powerful strategy for electrochemical performance optimization. However, it is still a considerable challenge to prepare transition metal‐based crystalline/amorphous heterostructures because of the low redox potential of transition metal ions. Herein, a facile H2‐assisted method is developed to prepare ternary Ni2P/MoNiP2/MoP crystalline/amorphous heterostructure nanowires on the conductive substrate. The characterization results show that the content of the MoNiP2 phase and the crystallinity of the MoP phase can be tuned by simply controlling the H2 concentration. The obtained electrocatalyst exhibits a superior alkaline hydrogen evolution reaction performance, delivering overpotentials of 20 and 76 mV to reach current densities of 10 and 100 mA cm−2 with a Tafel slope of 30.6 mV dec−1, respectively. The catalysts also reveal excellent stability under a constant 100 h operation, higher than most previously reported electrocatalysts. These striking performances are ascribed to the optimized hydrogen binding energy and favorable hydrogen adsorption/desorption kinetics. This work not only exhibits the potential application of ternary Ni2P/MoNiP2/MoP crystalline/amorphous heterostructure nanowires catalysts for practical electrochemical water splitting, but also paves the way to prepare non‐noble transition metal‐based electrocatalysts with optimized crystalline/amorphous heterostructures.
Manganese‐Based Immunomodulatory Nanocomposite with Catalase‐Like Activity and Microwave‐Enhanced ROS Elimination Ability for Efficient Rheumatoid Arthritis Therapy
Authors: Chen Xiaotong , Zhang Lianying , Zeng Haifeng , Meng Wei , Liu Guijiang , Zhang Wenhua , Zhao Pei , Zhang Qun , Chen Ming , Chen Jinxiang
Published: August 2023

Rheumatoid arthritis (RA) is a chronic autoimmune disease commonly associated with the accumulation of hyperactive immune cells (HICs), particularly macrophages of pro‐inflammatory (M1) phenotype, accompanied by the elevated level of reactive oxygen species (ROS), decreased pH and O2 content in joint synovium. In this work, an immunomodulatory nanosystem (IMN) is developed for RA therapy by modulating and restoring the function of HICs in inflamed tissues. Manganese tetraoxide nanoparticles (Mn3O4) nanoparticles anchored on UiO‐66‐NH2 are designed, and then the hybrid is coated with Mn‐EGCG film, further wrapped with HA to obtain the final nanocomposite of UiO‐66‐NH2@Mn3O4/Mn‐EGCG@HA (termed as UMnEH). When UMnEH diffuses to the inflammatory site of RA synovium, the stimulation of microwave (MW) irradiation and low pH trigger the slow dissociation of Mn‐EGCG film. Then the endogenously overexpressed hydrogen peroxide (H2O2) disintegrates the exposed Mn3O4 NPs to promote ROS scavenging and O2 generation. Assisted by MW irradiation, the elevated O2 content in the RA microenvironment down‐regulates the expression of hypoxia‐inducible factor‐1α (HIF‐1α). Coupled with the clearance of ROS, it promotes the re‐polarization of M1 phenotype macrophages into anti‐inflammatory (M2) phenotype macrophages. Therefore, the multifunctional UMnEH nanoplatform, as the IMN, exhibits a promising potential to modulate and restore the function of HICs and has an exciting prospect in the treatment of RA.
Defect Engineered Microcrystalline Cellulose for Enhanced Cocatalyst‐Free Piezo‐Catalytic H2 Production
Authors: Zhang Kailai , Sun Xiaodong , Hu Haijun , Yan Ge , Qin Anqi , Ma Yali , Huang Hongwei , Ma Tianyi
Published: August 2023

Mechanical energy driven piezocatalytic hydrogen (H2) production is a promising way to solve the energy crisis . But limited by the slow separation and transfer efficiency of piezoelectric charges generated on the surface of piezocatalysts , the piezocatalytic performance is still not satisfactory. Here, defect engineering is first used to optimize the piezocatalytic performance of microcrystalline cellulose (MCC). The piezocatalytic H2 production rate of MCC with the optimal defect concentration can reach up to 84.47 µmol g−1 h−1 under ultrasonic vibration without any co‐catalyst, which is ≈3.74 times higher than that of the pure MCC (22.65 µmol g−1 h−1). The enhanced H2 production rate by piezoelectric catalysis is mainly due to the introduction of defect engineering on MCC, which disorders the symmetry of MCC crystal structure, improves the electrical conductivity of the material, and accelerates the separation and transfer efficiency of piezoelectric charges. Moreover, the piezocatalytic H2 production rate of MCC with the optimal defect concentration can still reach up to 93.61 µmol g−1 h−1 in natural seawater, showingits commendable practicability. This study presents a novel view for designing marvelous‐performance biomass piezocatalysts through defect engineering, which can efficiently convert mechanical energy into chemical energy .
A Polyzwitterion‐Mediated Polymer Electrolyte with High Oxidative Stability for Lithium‐Metal Batteries
Authors: Wang Shi , Li Qiange , Gao Haiqi , Cai Henan , Liu Chao , Cheng Tao , Liu Chongyang , Li Yonghua , Lai Wen‐Yong
Published: August 2023

To achieve high‐performance solid‐state lithium‐metal batteries (SSLMBs), solid electrolytes with high ionic conductivity, high oxidative stability, and high mechanical strength are necessary. However, balancing these characteristics remains dramatically challenging and is still not well addressed. Herein, a simple yet effective design strategy is presented for the development of high‐performance polymer electrolytes (PEs) by exploring the synergistic effect between dynamic H‐bonded networks and conductive zwitterionic nanochannels. Multiple weak intermolecular interactions along with ample nanochannels lead to high oxidative stability (over 5 V), improved mechanical properties (strain of 1320%), and fast ion transport (ionic conductivity of 10−4 S cm−1) of PEs. The amphoteric ionic functional units also effectively regulate the lithium ion distribution and confine the anion transport to achieve uniform lithium ion deposition. As a result, the assembled SSLMBs exhibit excellent capacity retention and long‐term cycle stability (average Coulombic efficiency: 99.5%, >1000 cycles with LiFePO4 cathode; initial capacity: 202 mAh g−1, average Coulombic efficiency: 96%, >230 cycles with LiNi0.8Co0.1Mn0.1O2 cathode). It is exciting to note that the corresponding flexible cells can be cycled stably and can withstand severe deformation. The resulting polyzwitterion‐mediated PE therefore offers great promise for the next‐generation safe and high‐energy‐density flexible energy storage devices.