bluuebunny/crossref_metadata_2025 huggingface dataset:
Multicolor Mechanoluminescence From Lu3Al2Ga3O12: Tb, Eu for Stress and Temperature Visual Sensing
Authors: Zhou Zhiyao , Wu Sheng , Xiao Binli , Xiao Yao , Shao Peishan , Zheng Pan , Ning Jieni , Wang Yinzhen , Xiong Puxian
Published: September 2024

Mechanoluminescence (ML) refers to the luminescence phenomenon that occurs when a material is under external mechanical stimuli. However, relying solely on stress information to obtain ML signals is prone to test errors in complex test conditions. In this work, a Tb3+/Eu3+‐doped Lu3Al2Ga3O12 multicolor ML material is reported, in which the ML color can be adjusted from white to red (CIE color coordinates: from (x = 0.313, y = 0.3293) to (x = 0.6183, y = 0.379)) by changing the Eu3+ concentration. In addition, LAGO: 0.25% Tb3+ and LAGO: 1.5% Eu3+ are physically mixed at different mass ratios, and the varied stimuli‐responsed emission characteristics of Tb3+ and Eu3+ ions are used to develop a stress and temperature dual sensing device. Stress and temperature information can be further reflected simultaneously through the blue/red emission ratio IR (ITb/IEu). As the temperature increases, the color changes from white to red (CIE color coordinates: from (x = 0.3259, y = 0.306) to (x = 0.4707, y = 0.3625)), and the relative temperature sensitivity (Sr) is as high as 1.209% K−1 at 298 K. This sensing device provides a new idea for potential structural safety monitoring, multi‐modal anti‐counterfeiting technology, etc.
Tandem Synthesis of 3,5‐Dihydrocyclopenta[de]quinolin‐2(1H)‐One Scaffolds from α‐Bromocarbonyls and α–Diazoesters Under Copper and Palladium Catalysis
Authors: Li Shuwei , Wang Linqi , Wang Shangyuan , Ying Jun
Published: September 2024

A Cu/Pd‐catalyzed tandem radical cyclization and C−H activation/carbene insertion of α‐bromocarbonyls with α–diazoesters has been developed for the construction of fused quinolin‐2(1H)‐onescaffolds. The reaction proceeded well to afford a series of 3,5‐dihydrocyclopenta[de]quinolin‐2(1H)‐one derivatives. Additionally, bioactive molecules such as sesamol and estrone could be modified by using this method.
3D Printed Mesh Geometry Modulates Immune Response and Interface Biology in Mouse and Sheep Model: Implications for Pelvic Floor Surgery
Authors: Paul Kallyanashis , Darzi Saeedeh , O'Connell Cathal D. , Hennes David M. Z. B. , Rosamilia Anna , Gargett Caroline E. , Werkmeister Jerome A , Mukherjee Shayanti
Published: September 2024

Pelvic organ prolapse (POP) is a highly prevalent yet neglected health burden for women. Strengthening the pelvic floor with bioactive tissue‐engineered meshes is an emerging concept. This study investigates tissue regenerative design parameters, including degradability, porosity, and angulation, to develop alternative degradable melt electrowritten (MEW) constructs for surgical applications of POP. MEW constructs were fabricated in hierarchical geometries by two‐way stacking of the fibers with three different inter layer angles of 90°, 45°, or 22.5°. Implants printed at 22.5° have higher tensile strength under dry conditions and show better vaginal fibroblast (VF) attachment in vitro. In vivo assessment using preclinical mouse and ovine models demonstrates more effective degradation and improved tissue integration in 22.5° angular meshes compared to 90° and 45° meshes, with evidence of neo‐collagen deposition within implants at 6 weeks. The pattern and geometry of the layered MEW implants also influence the foreign body response, wherein the anti‐inflammatory phenotype shows a greater ratio of anti‐inflammatory CD206+ M2 macrophages/pro‐inflammatory CCR7+ M1 macrophages. This presents an attractive strategy for improving the design and fabrication of next‐generation vaginal implants for pelvic reconstructive surgery.
Assessing Postnatal Mortality in Smith–Lemli–Opitz Syndrome
Authors: Selvaraman Aishwarya , Rahhal Samar , Bianconi Simona , Furnary Tristan , Porter Forbes D.
Published: September 2024

Smith–Lemli–Opitz syndrome (SLOS) is a rare autosomal recessive disorder caused by pathological variants in DHCR7, resulting in a deficiency in the enzyme 7‐dehydrocholesterol reductase. This results in elevated levels of cholesterol precursors and typically low cholesterol levels, leading to a range of physical and cognitive challenges. Mortality rates in infants with severe SLOS are high, due to congenital malformations. Premature death has been described in individuals with SLOS, particularly in severely affected individuals. Further research is needed to understand postnatal mortality risk factors for individuals with SLOS. Understanding these factors could improve monitoring and prevention efforts. To investigate this, we obtained death certificates from the National Death Index (NDI) database on a cohort of individuals with SLOS who were enrolled in natural history studies at the National Institutes of Health Clinical Center (NCT00001721 and NCT05047354). Analysis and comparison of this deceased cohort showed that although premature death occurs in SLOS, many individuals with SLOS survive into adulthood. We also observed the risk of postnatal mortality increasing with higher severity scores and lower initial cholesterol levels.

Trial Registration: NCT00001721 and NCT05047354.
Directly Regenerating of Spent LiCoO2 with Gradient F‐Doped Subsurface towards Ultra‐Stable Storage Properties
Authors: Lei Hai , Cui Xinwei , Zeng Zihao , Zhu Chao , Sun Wei , Yang Yue , Ge Peng
Published: September 2024

As great potential recycling strategy, the direct regeneration of spent LiCoO2 (LCO) is beneficial for lowering environmental pollutions and promoting global sustainability. However, owing to the using of binder and electrolyte, some fluorine impurities would be remained into spent materials. Considering the doping behaviors of F‐elements, their suitable content introducing would facilitate the energy‐storage abilities of regenerated LCO. Herein, through the tailored introduction of F‐elements, spent LCO are successfully regenerated with physical‐chemical evolutions. Benefitting from the existed oxygen vacancies, the diffusion energy‐barrier of F‐elements is reduced from 1.73 eV to 0.61 eV, facilitating the establishment of gradient F‐doped subsurface, along with the formation of rigid CoO5F. Meanwhile, excess F‐elements (1 wt %, as a threshold) lead to the formation of LiF passivation layer on the surface. Thus, the as‐optimized sample displays a considerable capacity of 154.4 mAh g−1 even at 5.0 C, with retention rate (88.3 %) in 3.0–4.5 V. Supported by detailed electrochemical and kinetic analysis, the structural advantages are confirmed to boost the improved redox activity of Co‐ions and the alleviating of irreversible oxygen‐release. Give this, the work is anticipated to reveal the evolutions of regenerated LCO with the introduced F‐elements, whilst providing the practical regeneration strategies toward excellent high‐voltage properties.
Ultralight activated carbon/polyimide foam with heterogeneous interfaces for improved thermal stability, mechanical properties, and microwave absorption
Authors: Kang Jiayu , Cao Jingjing , Sun Wei , Xu Xinyu
Published: September 2024

The activated carbon (AC) has been widely used in the field of electromagnetic protection because of its porous, hollow microstructure and excellent electrical conductivity. In this paper, AC was prepared through KOH activation process. The ACs/polyimide foam (PIF) composite was prepared in situ during the synthesis of PI and the ACs. In this paper, AC was prepared using the potassium hydroxide (KOH) activation process. The AC/PIF composites were prepared by mixing ACs and pyromellitic dianhydride (PMDA) with methylene diphenyl diisocyanate (MDI). The pore structure and surface morphology of the ACs were observed using nitrogen adsorption–desorption isotherms and scanning electron microscopy (SEM). After KOH activation with KOH, the surface area and total pore volume of ACs significantly increased by 79.31% and 0.9539 cm3/g, respectively, mainly were the microporous structure. X‐ray photoelectron spectroscopy (XPS) results confirmed an increase in the oxygen content of ACs after KOH activation, indicating an increase in the relative hydroxyl content on the surface. The SEM resulting of the ACs/PIF composite has a well‐developed open cell structure. Thermal gravimetric analysis (TGA) revealed that ACs significantly improved the thermal stability of the ACs/PIF composite. The compressive strength of the ACs/PIF‐3 increased from 518 to 834 KPa, significantly enhancing its mechanical properties. Simultaneously, the microwave absorption performance can be controlled and regulated by optimizing the impedance gradient of the skeleton. Results showed that when ACs constituted 8 wt% of the PIF, the real permittivity (ɛ′) and imaginary permittivity (ɛ″) of ACs‐PIF‐5 were approximately 2.03 and 0.025, respectively.
Effect of Honeycomb Geometrical Parameters on Equivalent Radiated Power and Frequency Response of Motor Casing and Gearbox Surface of a Powertrain
Authors: Hegde Aditya Ramachandra , Srihari P. V. , Bharatish A. , Venkat M. B. , Swastik Raj B. R.
Published: September 2024

The powertrain, as a central source of noise and vibration, is crucial in determining the overall NVH (noise, vibration and harshness) performance of vehicles, necessitating the optimisation of its structural components for improved durability and passenger comfort. This paper investigates the influence of key geometrical parameters—cell thickness, skin thickness and cell length—on the complex frequency modes of honeycomb and square sandwich structures using the Altair OptiStruct solver 2022 and fast Fourier transform analyser. The driven and non‐driven ends of a motor casing and a gearbox, represented by honeycomb structures and ribs, were subjected to an evaluation of equivalent radiated power (ERP). The results show that the square structure performs better at higher skin thickness when resisting severe lateral stresses than the honeycomb while being less stiff at higher cell thickness. Notably, smaller cell length had a substantial impact on the modes of the honeycomb structure, whereas larger cell length had an impact on the square structure. Response surface methodology was used to optimise the modal frequencies of both square and honeycomb panels simultaneously. An ideal cell length of 5.88 mm, skin thickness of 1.303 mm and cell thickness of 0.381 mm were found for the honeycomb construction, yielding a composite desirability of 0.981. On the other hand, with a cell length of 5.045 mm, skin thickness of 1.484 mm and cell thickness of 0.331 mm, the square structure achieved a composite desirability of 0.989. It is interesting to note that the driven end casing of the motor casing made more noise with the addition of ribs than the non‐driven end and gearbox. But compared to the original powertrain model, adding a honeycomb structure resulted in a noise reduction of about 10%.
Broadband THz Wave Generation and Detection in Organic Crystal PNPA at MHz Repetition Rates
Authors: Sterczewski Lukasz A. , Mnich Jakub , Sotor Jaroslaw
Published: September 2024

Organic nonlinear optical (NLO) crystals have emerged as efficient room‐temperature emitters of broadband THz radiation with high electric field strengths. Although initially confined to high‐pulse‐energy excitation in the millijoule range with kHz rates, recent efforts have focused on tailoring the physical properties of organic NLO materials for compatibility with popular MHz‐rate telecommunication wavelength lasers emitting nanojoule energy pulses. This is motivated by the large potential of such crystals for more portable and user‐safe spectroscopic systems, additionally complemented by their room‐temperature field‐sensitive THz detection capabilities. In this work, the MHz‐rate operation of the organic crystal PNPA ((E)‐4‐((4‐nitrobenzylidene)amino)‐N‐phenylaniline), which was recently discovered through data mining algorithms and reported to surpass the conversion efficiency of rivaling NLO crystals at 1 kHz repetition rate is demonstrated. Using a compact 200 mW Er:fiber laser producing 18 fs pulses at 50 MHz repetition rate, the THz field generation and detection capabilities of PNPA via performing gas phase spectroscopy in the 1.3–8.5 THz range are demonstrated. A dynamic range of 40 dB over 3.6 s and 70 dB over 2 h is obtained. The work extends the family of organic crystals compatible with telecommunication‐wavelength excitation using nJ pulses for spectroscopy beyond 5 THz.
Click Chemistry for the Generation of Combination of Triazole Core and Thioether Donor Site in Organosulfur Ligands: Applications of Metal Complexes in Catalysis
Authors: Bhatt Neeraj , Tyagi Anupma , Purohit Suraj , Kumar Arun
Published: September 2024

During the last two decades, organosulfur compounds have been used in the field of transition metal catalysis. Some of such compounds are known for their ability to withstand their exposure to air and moisture. These compounds are very important ligands. They may be obtained using simple and smooth modular synthetic protocols which include nucleophilic substitution reactions. The development of click chemistry represents a new era of innovation. It is a lighthouse of reliable and efficient reactions. In recent past, click chemistry has also been applied for the synthesis of such organosulfur ligands specifically suited for the dynamic field of transition metal catalysis. In order to synthesize novel compounds containing sulfur and triazole ring, click chemistry is an advantageous methodology over other approaches. This article covers the general features and uses of this methodology for the development of catalytically active organosulfur compounds. The significant advances in the design of transition metal catalytic systems utilizing such ligands, their use in the catalysis of many chemical transformations are also covered in this article. Effort has also been made to present a comparative overview of the performances of such catalysts vis‐à‐vis the catalysts designed commonly used ligands. Catalytic performances have been discussed thoroughly in order to identify the impact of ligand architecture on efficacy of the catalyst. Effect of reaction conditions (such as time, temperature etc.) and mechanistic aspects have also been rationalized.
Gegenüberstellung der CO2‐Bilanz für Erhalt und Neubau von Bahnbrücken
Authors: Pelka Conrad , Keßler Jenny , Marx Steffen
Published: September 2024

Sobald eine Energie für eine bestimmte Tätigkeit aufgewendet wird, werden zwangsläufig Emissionen im Zuge eines negativen CO2‐Ausstoßes entstehen. Neben vielen weiteren Sektoren ist das Baugewerbe einer der größten Treiber der anhaltenden Negativbilanz. Ein Umdenken in Richtung der Weiternutzung von Tragwerken im Konstruktiven Ingenieurbau kann ein wichtiger Bestandteil zu einer positiven Entwicklung sein. Verdeutlicht am Anteil der Bestandsgewölbe im Netz der Deutschen Bahn, der vorhandenen Dauerhaftigkeit dieser Bauwerke, einer hohen Nutzungsdauer sowie der damit verbundenen potenziellen Tragfähigkeit kann durch den Erhalt dieser Bauwerke eine erfolgreiche Einsparung hinsichtlich ökologischer und ökonomischer Ziele erreicht werden. Mit der hier dargestellten CO2‐Bilanzierung in den Bereichen Baustoffeinsatz, Rückbau, Herstellung von Baustelleneinrichtungsflächen, Erdmassenbewegung, Schienenersatzverkehr während der Bauzeit und Betreiben der Anlagen über eine Nutzungszeit von 120 Jahren wird verdeutlicht, welches Potenzial der Erhalt von Gewölbebrücken gegenüber Ersatz und Neubau bedeutet. Mit Blick auf die kommenden Baumaßnahmen der Gewölbebrücken und dem Ziel der Deutschen Bahn, die Klimaneutralität bis 2040 zu erreichen, kann mit dieser Bauform ein Schritt in die notwendige Richtung gemacht werden.
Towards Sustainable Sulfide‐Based All‐Solid‐State‐Batteries: An Experimental Investigation of the Challenges and Opportunities Using Solid Electrolyte Free Silicon Anodes
Authors: Neumann Tobias , Alexander Dold Lukas , Thomas Cerny Alain , Tröster Eric , Günthel Michael , Fischer Anna , Peter Birke Kai , Krossing Ingo , Biro Daniel
Published: September 2024

Silicon is one of the most promising anode active materials for future high–energy lithium‐ion‐batteries (LIB). Due to limitations related to volume changes during de–/lithiation, implementation of this material in commonly used liquid electrolyte‐based LIB needs to be accompanied by material enhancement strategies such as particle structure engineering. In this work, we showcase the possibility to utilize pure silicon as anode active material in a sulfide electrolyte‐based all‐solid‐state battery (ASSB) using a thin separator layer and LiNi0.6Mn0.2Co0.2O2 cathode. We investigate the integration of both solid electrolyte blended anodes and solid electrolyte free anodes and explore the usage of non‐toxic and economically viable solvents suitable for standard atmospheric conditions for the latter. To give an insight into the microstructural changes as well as the lithiation path inside the anode soft X‐ray emission and X‐ray photoelectron spectroscopy were performed after the initial lithiation. Using standard electrochemical analysis methods like galvanostatic cycling and impedance spectroscopy, we demonstrate that both anode types exhibit commendable performance as structural distinctions between two‐dimensional and three‐dimensional interfaces became evident only at high charge rates (8 C).
Sustainable nitrogen photofixation: Considerations on the state of the art of non critical carbon materials
Authors: Valentini Federica , Grigoras Amalia M. , Vaccaro Luigi , Latterini Loredana
Published: September 2024

The achievement of a carbon‐neutral energy economy is nowadays mandatory to face global warming and the current energy crisis. To mitigate the present and future environmental issues, replacing fossil feedstocks with renewable sources is of primary importance, aiming to meet future generations' demands for energy and commodities. In light of this, the revamp of the ammonia synthesis, which today consumes almost 2% of the energy globally produced, gained increasing interest. The ammonia generation by reacting air and water and using sunlight as an inexhaustible source of energy is the closest approach to the ideal situation for zero‐carbon energy and chemical production. To promote solar‐to‐ammonia production, the photocatalyst plays a crucial role. However, for large‐scale implementation and long‐term utilization, the selection of noncritical raw materials in catalyst preparation is central aiming at resource security. In this context, herein are reviewed different strategies developed to improve the photocatalytic performances of carbon‐based materials. The introduction of vacancies and surface doping are discussed as valuable approaches to enhance the photocatalytic activity in the nitrogen fixation reactions, as well as the construction of heterojunctions to finely tune the electronic properties of carbon‐based materials.
Distinguishing Organomagnesium Species in the Grignard Addition to Ketones with X‐Ray Spectroscopy
Authors: Restaino Lorenzo , Mincigrucci Riccardo , Kowalewski Markus
Published: September 2024

The addition of Grignard reagents to ketones is a well‐established textbook reaction. However, a comprehensive understanding of its mechanism has only recently begun to emerge. X‐ray spectroscopy, because of its high selectivity and sensitivity, is the ideal tool for distinguishing between an ensemble of competing pathways. With this aim in mind, we investigated the concerted mechanism of the addition of methylmagnesium chloride (CH3MgCl) to acetone in tetrahydrofuran by simulating the X‐ray spectra of different molecules in solution. We used electronic structure methods to calculate the X‐ray absorption spectra at the Mg K‐ and L1‐edges and the X‐ray photoelectron spectra at the Mg K‐edge for different organomagnesium species, which coexist in solution due to the Schlenk equilibrium. The simulated spectra show that individual species can be distinguished throughout the different stages of the reaction. Each species has a distinct spectral feature which can be used as a fingerprint in solution. The absorption and photoelectron spectra consistently show a blue shift as the reaction progressed from reagents to products.
A Rare Example of a Gallium‐Based Lewis Superacid: Synthesis and Reactivity of Ga(OTeF5)3
Authors: Fischer Lukas , Hoffmann Kurt F. , Riedel Sebastian
Published: September 2024

The Lewis superacid Ga(OTeF5)3 has been synthesized and characterized, revealing a monomeric structure in solution and a dimeric structure in the solid state. Isolated adducts of Ga(OTeF5)3 with strong and weak Lewis bases have been characterized spectroscopically as well as by single‐crystal X‐ray diffractometry. The Lewis acidity of this new species has been evaluated by means of different experimental and theoretical methods, which has allowed to classify it as one of only a few examples of a gallium‐based Lewis superacid. The high Lewis acidity of Ga(OTeF5)3 was used to amplify the strength of the Brønsted acid HOTeF5, leading to the protonation of diethyl ether. Furthermore, Ga(OTeF5)3 was utilized to access the strong oxidizing system Ga(OTeF5)3/Xe(OTeF5)2 in SO2ClF, which was successfully employed in the synthesis of the dimethyl chloronium salt [Cl(CH3)2][Ga(OTeF5)4], a strong electrophilic methylation reagent.
Ten‐year follow‐up of outcomes, patterns of care, and psychosocial burden in adolescent and young adult patients with bone sarcomas from a large cohort in a low‐income and middle‐income country
Authors: Bajpai Jyoti , Sarkar Laboni , Rath Sushmita , Chandrasekharan Arun , Panda Goutam , Jakar Dharmpal , Pawar Akash , Ghosh Jaya , Laskar Siddhartha , Rekhi Bharat , Khanna Nehal , Manjali Jifmi Jose , Ramadwar Mukta , Purandare Nilendu , Bhargava Prabhat , Chakrabarty Nivedita , Gala Kunal , Kembhavi Yogesh , Rangarajan Venkatesh , Banavali Shripad , Gupta Sudeep
Published: September 2024

Background

The care of adolescents and young adults (AYAs) with bone sarcomas involves unique challenges. The objectives of this study were to identify challenges and evaluate long‐term outcomes of these patients from India who received treatment with novel protocols.

Methods

This prospective cohort study included AYA patients (aged 15–39 years) with osteosarcoma and Ewing sarcoma (ES), who were treated uniformly at the authors' institute using unique protocols (OGS‐12 and EFT‐2001) from 2011 to 2021 and from 2013 to 2018, respectively.

Results

The cohorts included 688 of 748 (91.9%) treatment‐naive AYA patients with osteosarcoma and 126 of 142 (88.7%) treatment‐naive AYA patients with ES. Among 481 of 561 patients (85.7%) who had nonmetastatic osteosarcoma treated according to protocol, at a median follow‐up of 59.7 months, the 5‐year event‐free survival (5‐EFS) rate was 58.6% (95% confidence interval, 54.1%–63.5%) and for 142 patients (20.6%) who had metastatic osteosarcoma, the 5‐EFS rate was 18.7%. The 5‐EFS rate was 66.4% and 21.9% for 104 patients (73%) with nonmetastatic ES and 38 patients (27%) with metastatic ES, respectively. Treatment‐naive patients had better outcomes, similar to compliance in the form of protocol completion (hazard ratio, 1.93 [p = .0043] and 2.66 [p < .0001], respectively. Only 230 of 377 (61.0%) male patients and 10 of 134 (7.4%) female patients reached out to fertility specialists. In addition, 17 of 161 (10.6%) eligible male survivors and 14 of 61 (22.9%) eligible female survivors got married posttreatment. Furthermore, 14 of 17 (82.4%) males and 14 of 14 (100%) females conceived. Among 311 patients who were working or attending school during diagnosis, greater than 90% had interruptions.

Conclusions

Homogenous treatment with the OGS‐12 and EFT‐2001 protocols resulted in internationally comparable long‐term outcomes in the cohorts with nonmetastatic and metastatic AYA bone sarcomas. Treatment compliance, timely referral to sarcoma reference centers (avoiding prior inadvertent treatment), and streamlining fertility‐preservation practices constitute unmet needs that demand prioritization.
Deep Eutectic Solvent and Molten Salt‐Assisted Construction of Wheat Straw‐Derived N/O Co‐Doped Porous Carbon for Flexible Zinc‐Air Batteries
Authors: Deng Daijie , Wei Nan , Wu Suqin , Wang Zehui , Li Huaming , Xu Li , Li Henan
Published: September 2024

As a common biomass resource, wheat straw is gradually being derived as carbon materials for oxygen reduction reaction (ORR) in zinc‐air batteries (ZABs). Herein, the wheat straw‐derived carbon was prepared by ball milling and pyrolysis using deep eutectic solvent (DES) as the medium, which avoided the cumbersome procedures. The hydrogen bond of DES was utilized to reconstructed into a hydrogen bond network structure between DES and lignin/cellulose/hemicellulose of wheat straw. The hydrogen bond network structure was converted into N/O co‐doped porous carbon (N/O‐WSPC) with abundant N/O co‐doped sites after high‐temperature pyrolysis. Meanwhile, KHCO3 was employed to further generate hierarchical pore structures and increase the specific surface area of the N/O‐WSPC. The N/O co‐doped sites provided intrinsic ORR activity, while the porous structure facilitates the mass transfer effect. Therefore, the N/O‐WSPC exhibited a half‐wave potential of 0.87 V (vs. RHE) and a limiting current density of 5.98 mA cm−2 for ORR. The N/O‐WSPC‐based flexible ZAB displayed an energy density of 652.23 Wh kg−1 and a charging‐discharging cycle duration for over 19 h. The DES‐assisted strategy facilitates the sustainable and efficient application of wheat straw‐derived carbon materials in energy storage and conversion devices.
Behçet's disease modifies the gingival inflammatory response
Authors: Sahinkaya Selin , Yilmaz Melis , Yay Ekin , Toygar Hilal , Balci Nur , Altinisik Dursun Dorukhan , Kutlubay Zekayi , Kantarci Alpdogan
Published: September 2024

Background

Behçet's disease (BD) pathogenesis involves severe outcomes such as blindness, central nervous system manifestations, and deep venous thrombosis that impacts systemic and local inflammatory changes. We tested the hypothesis that BD negatively affects gingival health and increases the severity of gingivitis.

Methods

The study included 37 BD patients with gingivitis without any sign of periodontitis. Systemically healthy 19 patients with gingivitis (G) and 20 periodontally and systemically healthy individuals (C) were recruited as controls. BD patients were further grouped as stable and unstable based on their responses to BD treatment. Clinical periodontal parameters were measured to determine the impact of BD on gingival health. Serum and saliva levels of ELA‐2 (neutrophil elastase‐2), SLPI (secretory leukocyte protease inhibitor), α1‐AT (alpha1‐anti‐trypsin), VEGF (vascular endothelial growth factor), IL‐6 (interleukin‐6), IL‐8 (interleukin‐8), and TNF‐α (tumor necrosis factor alpha) were analyzed using multiplex immunoassay to measure the systemic and local inflammatory impact of BD.

Results

Plaque index (PI), probing pocket depth (PPD), and bleeding on probing (BOP) were significantly higher in the BD group than in the controls (p < 0.05). IL‐6 was higher in both serum and saliva in the BD group than in the G group (p < 0.05). ELA‐2 levels in saliva were higher in the stable BD group than in the controls, while TNF‐α and SLPI were statistically significantly higher in BD than in the control (p < 0.05). Salivary α1‐AT level was statistically lower in the BD group compared to the control group.

Conclusion

Our study suggested that the gingival inflammatory profile was impaired in patients with BD.
Proportion of Patients With Ductal Carcinoma In Situ That Qualify for Observation Criteria Set Forth by Clinical Trials
Authors: McAdams Callie D. , Clevenger Nicholas , Nicholson Kyra , Pesce Catherine , Kopkash Katherine , Poli Elizabeth , Smith Thomas W. , Yao Katherine
Published: September 2024

Background

The COMET, LORD, and LORIS clinical trials are investigating the role of active surveillance in low‐risk ductal carcinoma in situ (DCIS). The objective of this study was to identify the proportion of patients eligible for these trials amongst a cohort of patients treated at our institution.

Methods

Retrospective chart review was performed of patients diagnosed with DCIS who were treated from 2013 to 2022. Clinical, tumor, and imaging inclusion and exclusion criteria of the aforementioned observation trials were applied to determine the proportion of patients eligible for each trial. Upgrade rate to invasive cancer were examined across all three groups.

Results

Of 1223 patients diagnosed with DCIS, applying the criteria of each trial, 245 (20%), 238 (19.4%), and 264 (21.6%) patients were eligible for the COMET, LORD, and LORIS trials, respectively. High‐grade DCIS and mass on imaging had the largest impact on exclusion. Nineteen (7.8%) of women who qualified for COMET were upgraded to invasive disease at excision, compared to 18 (7.6%) for LORD, and 19 (7.2%) for LORIS.

Conclusions

One in five patients diagnosed with DCIS at our institution would qualify for observation with current trial eligibility. Observation of DCIS may have limited impact on all DCIS patients.
Similar two‐year improvement in patient‐reported outcomes in patients 40 years and older with outerbridge grade III and IV lesions following ACL reconstruction
Authors: Kleinsmith Rebekah M. , Doxey Stephen A. , Puckett Haley D. , Huyke‐Hernández Fernando A. , Only Arthur J. , Kweon Christopher Y. , Cunningham Brian P.
Published: September 2024

Purpose

This study aims to evaluate clinical and patient‐reported outcome measures (PROMs) of patients 40 years and older that underwent anterior cruciate ligament reconstruction (ACLR) and determine the influence of preexisting arthritis and chondral wear on ACLR outcomes. We hypothesized that patients aged 40+ with ACLR would have excellent clinical outcomes and PROMs regardless of preexisting arthritic changes.

Methods

A total of 118 patients were included. Patients aged 40 years and older who underwent ACLR in a single healthcare system between 2009 and 2016 were eligible. Outcomes assessed include Knee Injury and Osteoarthritis Outcome Scores (KOOS), Single Assessment Numeric Evaluation (SANE) scores, intraoperative Outerbridge grading, preoperative Kellgren–Lawrence (KL) grading and postoperative complication rates over a 2‐year period.

Results

Average increase in KOOS and SANE scores were 21.2  19.9 and 23.5  31.3, respectively. Patients with Outerbridge grade III and IV lesions in weight‐bearing compartments had lower baseline SANE and KOOS scores than those without (47.1 ± 22.0 vs. 64.5 ± 23.6 baseline SANE and 43.1 ± 18.1 vs. 63.5 ± 15.9 baseline KOOS; p = 0.002 and p < 0.001, respectively) with no significant difference in the amount of change in SANE or KOOS scores (p = 0.111 and p = 0.165 respectively). Patients with KL‐grade 2+ osteoarthritis experienced similar changes in KOOS and SANE over the 2‐year period to their counterparts (p = 0.598 and p = 0.643, respectively).

Conclusion

There is no correlation between preexisting osteoarthritic changes or chondral defects and PROs. KOOS and SANE scores both increased postoperatively. When treating older patients with an ACL tear, surgeons should consider the activity level and desires of the patient as they determine appropriate treatment. Preexisting osteoarthritis does not correlate with patient‐reported outcomes for ACLR.

Level of Evidence

Level IV
Pediatric inpatient psychiatric beds needed to meet demand
Authors: Canady Valerie A.
Published: September 2024

Inadequate availability of pediatric psychiatric beds is partially attributed to the worsening pediatric mental health crisis, along with children who increasingly have prolonged emergency department visits while awaiting definitive mental health care, according to a research letter published online last month in JAMA Pediatrics.
The other face of facioscapulohumeral muscular dystrophy: Exploring orofacial weakness using muscle ultrasound
Authors: Vincenten Sanne C. C. , van Doorn Jeroen L. M. , Teeselink Sjan , Rasing Nathaniel B. , Padberg George W. , Voermans Nicol C. , van Engelen Baziel G. M. , van Alfen Nens , Mul Karlien
Published: September 2024

Introduction/Aims

One of the most distinct clinical features of facioscapulohumeral muscular dystrophy (FSHD) is facial weakness. It leads to diminished facial expression and functional impairments. Despite its clinical relevance, little else is known about orofacial muscle involvement. We therefore evaluated orofacial muscle involvement in a sizeable cohort of FSHD participants with muscle ultrasound.

Methods

Muscle ultrasound images of the following orofacial muscles were scored visually and quantitatively: depressor anguli oris (DAO), orbicularis oris (OO), buccinator, temporalis, masseter, digastric, zygomaticus major and minor bilaterally, and the geniohyoid. Reliability analyses of both visual and quantitative evaluations were performed. Ultrasound results were correlated with other measures: the FSHD clinical score, facial weakness score, and facial function scale.

Results

We included 107 FSHD participants (male 54%; age 52 ± 14 years), of whom 92% showed signs of facial weakness. The reliability of visual ultrasound analysis varied widely (κ 0.0–1.0). Quantitative ultrasound reliability was high (intraclass correlation analysis ≥ 0.96). The DAO, buccinator, OO, temporalis, and zygomaticus minor muscles were affected most often (15%–39%). The digastric, geniohyoid, zygomaticus major, and masseter muscles were least often affected (<5%). The ultrasound compound score correlated weakly to moderately with other outcome measures used (ρ = 0.3–0.7).

Discussion

This study adds to the understanding of orofacial weakness in FSHD, confirming the involvement of the muscles of facial expression in FSHD using ultrasound. We showed that orofacial muscle ultrasound is feasible and reliable when quantitatively assessed. Future studies should evaluate orofacial muscle ultrasound longitudinally, alongside clinical and patient‐reported facial weakness outcome measures, to assess their potential as outcome measures.
Seasonal variations in biomechanical properties of Elymus species: Implications for assessing coastal ecosystem services
Authors: Liu Jintian , Liu Qiyue , Kutschke Steven , Kosmalla Viktoria , Schürenkamp David , Goseberg Nils , Böl Markus
Published: September 2024

Higher wave heights and currents can greatly increase erosion rates. If the coastal region is exposed to long‐term erosion without protective measures, the coastline will irreversibly retreat landwards and endanger coastal assets. One of the solutions is to make use of the natural coastal vegetation, which can both stabilise the soil and contribute to wave attenuation. One of the most important plants for ecosystem services is the Elymus due to its ability to stabilise upper salt marshes and prevent erosion. In order to better predict the fluid‐plant interaction and wave attenuation by vegetation, an experimental characterization has been carried out on Elymus species in this study to determine the bending flexibility and material stiffness of the plants. For this purpose, three‐point and two‐point bending tests were performed on different sections of Elymus collected in March, Jun and September to investigate the seasonal changes in the tissue‐related mechanical behaviour. Based on the structural properties obtained from histological studies of the cross‐sections, the non‐linear material behaviour of Elymus was unravelled from the experimentally measured bending behaviour using the inverse finite element method. The results of these experiments revealed some surprising differences in the flexibility of the stems at different seasons. Furthermore, by comparing the data from the tissue samples and the simulations, valuable insight is gained into how the morphology and mechanical behaviour of plants change throughout the year. The experimental and numerical results obtained will help to predict how plants interact with the fluid and how wave attenuation relates to different vegetation conditions, for example, plant density, stiffness and dimensions.
Distributive fairness during the transition to adolescence: The role of peer comparison and social value orientation
Authors: Liu Siqi , Hu Xinmu , Ge Weijun , Mai Xiaoqin
Published: September 2024

Combining the dictator game (DG) and the ultimatum game (UG), this study recruited 546 Chinese children (321 boys, aged 9–12 years) as distributors, and found that both peer comparison and social value orientation (SVO) significantly influenced children's distributive fairness from late childhood to early adolescence. Results showed that as the unfairness of peer proposals increased, participants decreased the amount of gold coins distributed to the receiver in both tasks, revealing a peer comparison effect. This effect was more pronounced for adolescents than for children in both tasks. In addition, participants' fair distribution behaviors in the DG showed a three‐way interaction effect of SVO, grade, and peer comparison. Specifically, for proselfs, children were not influenced by peers and consistently proposed self‐interested distributions, whereas adolescents exhibited a peer comparison effect; for prosocials, both children and adolescents were influenced by peers, but children decreased the amount of their distributions only when they saw peers make extremely unfair distributions, whereas adolescents decreased the amount of their distributions when they saw peers make both mildly and extremely unfair distributions. This study highlights the importance of social environment and personal trait in shaping children's fair distribution behavior during the transition from late childhood to early adolescence.
AlzDiscovery: A computational tool to identify Alzheimer's disease‐causing missense mutations using protein structure information
Authors: Pan Qisheng , Parra Georgina Becerra , Myung Yoochan , Portelli Stephanie , Nguyen Thanh Binh , Ascher David B.
Published: September 2024

Alzheimer's disease (AD) is one of the most common forms of dementia and neurodegenerative diseases, characterized by the formation of neuritic plaques and neurofibrillary tangles. Many different proteins participate in this complicated pathogenic mechanism, and missense mutations can alter the folding and functions of these proteins, significantly increasing the risk of AD. However, many methods to identify AD‐causing variants did not consider the effect of mutations from the perspective of a protein three‐dimensional environment. Here, we present a machine learning‐based analysis to classify the AD‐causing mutations from their benign counterparts in 21 AD‐related proteins leveraging both sequence‐ and structure‐based features. Using computational tools to estimate the effect of mutations on protein stability, we first observed a bias of the pathogenic mutations with significant destabilizing effects on family AD‐related proteins. Combining this insight, we built a generic predictive model, and improved the performance by tuning the sample weights in the training process. Our final model achieved the performance on area under the receiver operating characteristic curve up to 0.95 in the blind test and 0.70 in an independent clinical validation, outperforming all the state‐of‐the‐art methods. Feature interpretation indicated that the hydrophobic environment and polar interaction contacts were crucial to the decision on pathogenic phenotypes of missense mutations. Finally, we presented a user‐friendly web server, AlzDiscovery, for researchers to browse the predicted phenotypes of all possible missense mutations on these 21 AD‐related proteins. Our study will be a valuable resource for AD screening and the development of personalized treatment.
Ligand‐induced CaMKIIα hub Trp403 flip, hub domain stacking, and modulation of kinase activity
Authors: Narayanan Dilip , Larsen Anne Sofie G. , Gauger Stine Juul , Adafia Ruth , Hammershøi Rikke Bartschick , Hamborg Louise , Bruus‐Jensen Jesper , Griem‐Krey Nane , Gee Christine L. , Frølund Bente , Stratton Margaret M. , Kuriyan John , Kastrup Jette Sandholm , Langkilde Annette E. , Wellendorph Petrine , Solbak Sara M. Ø.
Published: September 2024

γ‐Hydroxybutyric acid (GHB) analogs are small molecules that bind competitively to a specific cavity in the oligomeric CaMKIIα hub domain. Binding affects conformation and stability of the hub domain, which may explain the neuroprotective action of some of these compounds. Here, we describe molecular details of interaction of the larger‐type GHB analog 2‐(6‐(4‐chlorophenyl)imidazo[1,2‐b]pyridazine‐2‐yl)acetic acid (PIPA). Like smaller‐type analogs, PIPA binding to the CaMKIIα hub domain promoted thermal stability. PIPA additionally modulated CaMKIIα activity under sub‐maximal CaM concentrations and ultimately led to reduced substrate phosphorylation. A high‐resolution X‐ray crystal structure of a stabilized CaMKIIα (6x mutant) hub construct revealed details of the binding mode of PIPA, which involved outward placement of tryptophan 403 (Trp403), a central residue in a flexible loop close to the upper hub cavity. Small‐angle X‐ray scattering (SAXS) solution structures and mass photometry of the CaMKIIα wild‐type hub domain in the presence of PIPA revealed a high degree of ordered self‐association (stacks of CaMKIIα hub domains). This stacking neither occurred with the smaller compound 3‐hydroxycyclopent‐1‐enecarboxylic acid (HOCPCA), nor when Trp403 was replaced with leucine (W403L). Additionally, CaMKIIα W403L hub was stabilized to a larger extent by PIPA compared to CaMKIIα hub wild type, indicating that loop flexibility is important for holoenzyme stability. Thus, we propose that ligand‐induced outward placement of Trp403 by PIPA, which promotes an unforeseen mechanism of hub domain stacking, may be involved in the observed reduction in CaMKIIα kinase activity. Altogether, this sheds new light on allosteric regulation of CaMKIIα activity via the hub domain.
Mining unique cysteine synthetases and computational study on thoroughly eliminating feedback inhibition through tunnel engineering
Authors: Xu Shuai , Li Zong‐Lin , Li Zhi‐Min , Liu Hong‐Lai
Published: September 2024

L‐cysteine is an essential component in pharmaceutical and agricultural industries, and synthetic biology has made strides in developing new metabolic pathways for its production, particularly in archaea with unique O‐phosphoserine sulfhydrylases (OPSS) as key enzymes. In this study, we employed database mining to identify a highly catalytic activity OPSS from Acetobacterium sp. (AsOPSS). However, it was observed that the enzymatic activity of AsOPSS suffered significant feedback inhibition from the product L‐cysteine, exhibiting an IC50 value of merely 1.2 mM. A semi‐rational design combined with tunnel analysis strategy was conducted to engineer AsOPSS. The best variant, AsOPSSA218R was achieved, totally eliminating product inhibition without sacrificing catalytic efficiency. Molecular docking and molecular dynamic simulations indicated that the binding conformation of AsOPSSA218R with L‐cys was altered, leading to a reduced affinity between L‐cysteine and the active pocket. Tunnel analysis revealed that the AsOPSSA218R variant reshaped the landscape of the tunnel, resulting in the construction of a new tunnel. Furthermore, random acceleration molecular dynamics simulation and umbrella sampling simulation demonstrated that the novel tunnel improved the suitability for product release and effectively separated the interference between the product release and substrate binding processes. Finally, more than 45 mM of L‐cysteine was produced in vitro within 2 h using the AsOPSSA218R variant. Our findings emphasize the potential for relieving feedback inhibition by artificially generating new product release channels, while also laying an enzymatic foundation for efficient L‐cysteine production.
Development of artificial photosystems based on designed proteins for mechanistic insights into photosynthesis
Authors: Serrano Gonzalo Pérez , Echavarría Claudia F. , Mejias Sara H.
Published: September 2024

This review aims to provide an overview of the progress in protein‐based artificial photosystem design and their potential to uncover the underlying principles governing light‐harvesting in photosynthesis. While significant advances have been made in this area, a gap persists in reviewing these advances. This review provides a perspective of the field, pinpointing knowledge gaps and unresolved challenges that warrant further inquiry. In particular, it delves into the key considerations when designing photosystems based on the chromophore and protein scaffold characteristics, presents the established strategies for artificial photosystems engineering with their advantages and disadvantages, and underscores the recent breakthroughs in understanding the molecular mechanisms governing light‐harvesting, charge separation, and the role of the protein motions in the chromophore's excited state relaxation. By disseminating this knowledge, this article provides a foundational resource for defining the field of bio‐hybrid photosystems and aims to inspire the continued exploration of artificial photosystems using protein design.
The novel herbicide icafolin‐methyl is a plant‐specific inhibitor of tubulin polymerization
Authors: Haaf Klaus‐Bernhard , Peters Olaf , Laber Bernd , Lange Gudrun , Gatzweiler Elmar , Geibel Sven , Passon Daniel , Endler Anne , Lange Sylvia , Kahlau Sabine , Eroschenko Tatjana , Waldraff Petra , Lümmen Peter
Published: September 2024

BACKGROUND

Without controlling weeds, it is estimated that about one third of global crop yields would be lost. Herbicides remain the most effective solution for weed control, but they face multiple challenges, such as the emergence and growth of resistant weed populations. Consequently, there is an urgent need for either herbicides with new modes of action or at least novel chemistries within established modes of action, with outstanding efficacy but without showing cross‐resistance to the herbicides present in the prospective markets.

RESULTS

Icafolin‐methyl is a novel herbicide with a unique biological profile. It is hydrolyzed in planta to the carboxylic acid icafolin. After post‐emergence application icafolin‐methyl and icafolin both show high efficacy against the most relevant competitive weeds in cold and warm season cropping systems at low application rates, including resistant black‐grass and rye‐grass biotypes. Biochemical and genetic evidence is provided that icafolin‐methyl and icafolin inhibit plant tubulin polymerization probably by binding to ß‐tubulins.

CONCLUSION

Icafolin‐methyl is a novel non‐selective herbicide with an established mode of action, but with a superior potency and spectrum, specifically after foliar application. This makes icafolin‐methyl fundamentally different from existing tubulin polymerization inhibiting herbicides. It complements the farmers weed control toolbox, particularly with respect to resistance management. © 2024 Society of Chemical Industry.