bluuebunny/crossref_metadata_2025 huggingface dataset:
Peripartum Prediction of Fetal Weight in Gravidas With Obesity
Authors: Bligard Katherine H. , Kelly Jeannie C. , Frolova Antonina I. , Odibo Anthony O. , Raghuraman Nandini
Published: July 2024

Objectives

Estimated fetal weight (EFW) is an important metric at delivery as neonates with abnormal birthweight and their mothers are at higher risk of birth complications. Data regarding optimal EFW assessment in gravidas with obesity is inconsistent, and with the increasing incidence of obesity, clarification of this question is crucial. We aimed to compare accuracy of ultrasound (US)‐derived EFW and clinical assessments of EFW in predicting neonatal birthweight among gravidas with obesity.

Methods

This prospective cohort study enrolled gravidas with obesity and a singleton pregnancy admitted for delivery at term. EFW was determined using either US biometry or clinical assessment (Leopold's maneuvers, Johnson's formula, and Insler's formula) at time of admission. Our primary outcome was accurate EFW, defined as EFW within 500 g of birthweight. Secondary outcomes included ability to predict small‐for‐gestational age (SGA) and large‐for‐gestational age (LGA) birthweights. These outcomes were compared between all EFW methods.

Results

A total of 250 gravidas with a median body mass index of 36.4 kg/m2 were enrolled. Admission US outperformed Leopold's maneuvers in obtaining accurate EFW (81.6% versus 74.5%, P = .03). When comparing all methods, Johnson's and Insler's formulae performed the worst, accurately predicting EFW in only 27.4% and 14.3% of cases, respectively. Likewise, US‐derived EFW outperformed Leopold's maneuvers and fundal height in the prediction of SGA and LGA neonates.

Conclusions

US is more accurate than clinical assessment of EFW in gravidas with obesity both for estimation of actual birthweight and prediction of abnormal birthweight. Universal late third‐trimester or peripartum US for EFW should be considered in gravidas with obesity.
445nm Blue Laser for Cricopharyngeal Myotomy/Zenker's Diverticulotomy: Proof of Concept and Use
Authors: Tie Kevin , Manayan Regan C. , Mallur Pavan S.
Published: July 2024

Objective(s)

Treatment for Zenker's diverticulum and cricopharyngeal dysfunction has evolved to include flexible endoscopic approaches. Currently, no flexible modalities combine the precision cutting of CO2 laser and the hemostasis of knife electrocautery. We present the first series describing fiber‐based 445nm blue light (BL) laser for endoscopic cricopharyngeal myotomy/Zenker's diverticulotomy. We describe usage characteristics and laser parameters with rigid esophagoscopy to determine the feasibility of use with flexible endoscopy.

Methods

Retrospective review and literature review.

Results

The first nine cases of endoscopic diverticulotomy (n = 5) and cricopharyngeal myotomy (n = 4) with BL were reviewed. Rigid exposure was achieved with the Dohlman Slimline diverticuloscope. Mean age was 75.6 years. Average diverticulum depth was 0.89 cm ±1.0 cm. Pulsed mode was used in seven cases with mean of 6.86 W, 54 ms pulse on, and 286 ms pulse pause and overall mean of 6.00 W and 405 J. Complete myotomy with intact buccopharyngeal fascia and without bleeding limiting view was achieved in all patients. One of two patients in whom continuous wave setting was used developed subcutaneous emphysema following vigorous cough on POD0; this resolved after 7 days nothing per oral (NPO). Eight patients were started on oral intake without evidence for leak. Pulsed mode with fiber‐to‐tissue contact provided effective muscle cutting without disruption of buccopharyngeal fascia. Literature review yielded three articles examining flexible approach with laser for Zenker's and none with BL.

Conclusion

BL provides safe and effective fiber‐based cutting and hemostasis in endoscopic cricopharyngeal myotomy/Zenker's diverticulotomy. Future use in flexible endoscopic approaches appears feasible, though continuous wave should be avoided.

Level of Evidence

4 Laryngoscope, 134:4620–4624, 2024
Phytoplankton primary productivity: A dual‐incubation approach for direct comparison of photosystem II photosynthetic flux (JVPII) and 14C‐fixation experiments
Authors: Schuback Nina , Oxborough Kevin , Burkitt‐Gray Mary , López‐García Patricia , Patey Matthew D. , Hammermeister Emily , Wright Alan , Moore C. Mark
Published: July 2024

Singe‐turnover active chlorophyll a fluorometry (STAF) can be used to assess phytoplankton photosynthetic rates in terms of the photosystem II photochemical flux (JVPII, μmol e− m−3 s−1) instantaneously, autonomously, and at high resolution. While JVPII provides an upper limit to rates of phytoplankton primary productivity in units of carbon fixation, the conversion between these two rates is variable, limiting our ability to utilize high‐resolution JVPII data to monitor phytoplankton primary productivity. Simultaneous measurements of JVPII and 14C‐fixation help in understanding the factors controlling the variable ratio between the two rates. However, to date, methodological inconsistencies, including differences in incubation lengths and light quality, have greatly inhibited practical assessment of such electron to carbon ratios (Φe,C, mol e− mol C−1). We here present data from a range of dual‐incubation experiments in northeast Atlantic waters during which JVPII and 14C‐fixation were measured simultaneously on the same sample. Time‐course experiments show how Φe,C increases with incubation length, likely reflecting the transition from gross to net 14C‐fixation. Dual‐incubation experiments conducted under different light levels show a tendency for increased Φe,C under (super‐)saturating light. Finally, data from a diurnal experiment demonstrate how Φe,C increases over the course of a day, due to downregulation of 14C‐fixation. We provide a detailed description of our methodological approach, including a critical discussion of improvements to the calculation of JVPII implemented in the LabSTAF instrument used for active fluorescence measurements and the limitations of the well‐established 14C‐fixation approach.
Groups partner on support tool for mental health needs of cancer patients
Authors: Enos Gary
Published: July 2024

Despite compelling evidence that mental health support for patients with cancer improves their follow‐up care and quality of life, many patients struggle to gain access to needed mental health services. An organization that offers free resources to cancer patients and their caregivers has entered into a partnership that will offer personalized digital support to patients in need.
Structure design for light‐extraction enhancement of UVC‐LED
Authors: Liu Qixin , Wei An‐Chi
Published: July 2024

UVC‐LEDs have drawn attention recently because of their benefits to sterilization, decontamination, etc. Since the internal quantum efficiency and light extraction efficiency (LEE) of UVC‐LEDs are low, their external quantum efficiency remains unsatisfied. To enhance the LEE, this study proposes an integration design with the features of substrate‐thickness optimization, substrate shaping, diffuse‐reflective coating, an index‐matching layer, and taper‐base optimization. In addition to optical modeling via ray tracing, thermal modeling is conducted to evaluate both the optical and thermal performances of each feature. The simulation results show that, by means of the combination of these features, the LEE of the chip can be raised from 18.5% to more than 40%, and the average temperature of the device can be lowered by 2.2°C via the design of the diffuse‐reflective coating.
Microstructural, mechanical, thermo‐rheological, barrier, and antimicrobial properties of coextruded tri‐layer polylactide/encapsulated geraniol/polylactide‐graphene nanoplatelets films
Authors: Ahmed Jasim , Bher Anibal , Auras Rafael
Published: July 2024

A sustainable polylactide (PLA)‐based multilayer food packaging film was developed to improve neat PLA films' modest mechanical, thermal, and water/gas barrier properties. To improve the desired properties and impart antimicrobial aspects to the composite films, graphene nanoplatelets (GNP), and geraniol (GER) were reinforced into single‐layered PLA films. The project aimed to assemble three monolayers into multilayer films (MLF) through a coextrusion process, keeping the PLA‐GER layer in the core. X‐ray diffractograms, micrographs, and roughness parameters of the films demonstrated the dispersion of GNP in the film. Thermogravimetric analysis confirmed an enhancement in the thermal stability of the MLF by around 8°C when compared against single‐layer PLA films. An improvement in mechanical rigidity was supported by tensile (>87%) and rheological measurements. The polymers exhibit liquid‐like behavior in melts. Barrier properties did not improve for the MLF due to the agglomeration of GNP. The excellent antimicrobial properties of the MLFs for 3 weeks of storage at refrigerated conditions against both gram‐positive and gram‐negative pathogens were attributed to the release of GER from the film into the packed chicken samples and proved their potential for use in the food industry.
5‐aminobenzimidazole@graphene oxide nanosheets doped polyimide nanocomposites: Low‐temperature curing and improved mechanical properties
Authors: Hu Zhufeng , Tong Yuchen , Wang Min , Sun Bing , Bai Huijuan , Xu Junbo , Yang Chao
Published: July 2024

The preparation of polyimide matrix composites with low curing temperature and high mechanical properties is of great importance. In this study, a low‐cost and multi‐functional nanofiller, 5‐aminobenzimidazole grafted graphene oxide (5‐ABZ@GO) has been designed. By nucleophilic attack on 5‐aminobenzimidazole basic groups and doping of GO, the above requirements of polyimide composites were skillfully realized. The results show that when the addition of 5‐ABZ@GO is 1%, the 5‐ABZ@GO/PI nanocomposites can achieve complete imidized at 200°C. Moreover, the nanocomposite prepared by imidization at 200°C has good mechanical and thermal properties (tensile strength is 141.64 MPa, modulus is 6.05 GPa, T5% is as high as 543.5°C), which is better than the PI composites prepared at 320°C. This study provides an innovative approach to preparing polyimide composites that meet mechanical performance requirements while utilizing comparatively lower curing temperatures, low curing temperature polyimide resins provide a new path for integrated composites with structure–function integration.
Research progress of microvascular development in bronchopulmonary dysplasia
Authors: Zhang Jiaxin , Du Weiwei , Zhang Zongli , Li Tao , Li Xingchao , Xi Shibing
Published: July 2024

Bronchopulmonary dysplasia (BPD) is a chronic lung disease that arises during the neonatal period, and its underlying mechanisms are still not fully understood. The disorder of microvascular development plays a significant role in the development of BPD. This article presents a comprehensive review of the advancements made in understanding the mechanisms and treatment approaches related to microvascular development in the pathogenesis of BPD.
Unveiling the stochastic nature of human heteropolymer ferritin self‐assembly mechanism
Authors: Bou‐Abdallah Fadi , Fish Jeremie , Terashi Genki , Zhang Yuanyuan , Kihara Daisuke , Arosio Paolo
Published: July 2024

Despite ferritin's critical role in regulating cellular and systemic iron levels, our understanding of the structure and assembly mechanism of isoferritins, discovered over eight decades ago, remains limited. Unveiling how the composition and molecular architecture of hetero‐oligomeric ferritins confer distinct functionality to isoferritins is essential to understanding how the structural intricacies of H and L subunits influence their interactions with cellular machinery. In this study, ferritin heteropolymers with specific H to L subunit ratios were synthesized using a uniquely engineered plasmid design, followed by high‐resolution cryo‐electron microscopy analysis and deep learning‐based amino acid modeling. Our structural examination revealed unique architectural features during the self‐assembly mechanism of heteropolymer ferritins and demonstrated a significant preference for H‐L heterodimer formation over H‐H or L‐L homodimers. Unexpectedly, while dimers seem essential building blocks in the protein self‐assembly process, the overall mechanism of ferritin self‐assembly is observed to proceed randomly through diverse pathways. The physiological significance of these findings is discussed including how ferritin microheterogeneity could represent a tissue‐specific adaptation process that imparts distinctive tissue‐specific functions to isoferritins.
Multidimensional Rainbow Trapping of Sound in the Second‐Order Topological Sonic Crystals
Authors: Chen Jiu‐Jiu , Yang Qiu‐Shuang , Huo Shao‐Yong , Fu Chun‐Ming
Published: July 2024

Topological rainbow trapping, which can separate and trap different frequencies of topological states into different positions, plays a key role in topological acoustic devices. However, few schemes have been proposed to realize multidimensional topological rainbow trapping effects with the hierarchy of edge and corner, which has partly restricted their practical applications in multifunctional integrated acoustic devices. Herein, a tactic to realize a multidimensional topological rainbow trapping of acoustic wave with the hierarchy of edge and corner in the second‐order topological sonic crystals is proposed. Based on the designing of a self‐ordering structure to both induce the topological phases of the bulk and edge states in the rectangular lattice, the edge states and corner states are obtained. Furthermore, the regularity between the located frequency of topological edge and corner states and the geometric parameters are discussed in detail. Finally, the rainbow trapping effects for topological edge states and corner states are investigated, respectively, in which different frequencies of topological acoustic edge and corner states are well separated and trapped in different positions without overlap. This proposal may provide a novel way for multidimensional wave manipulation and the integration of multifunctional acoustic devices.
Variable Duration Trial as an Alternative Design for Continuous Endpoints
Authors: Ganju Jitendra , Ma Julie Guoguang
Published: July 2024

Clinical trials with continuous primary endpoints typically measure outcomes at baseline, at a fixed timepoint (denoted T
min), and at intermediate timepoints. The analysis is commonly performed using the mixed model repeated measures method. It is sometimes expected that the effect size will be larger with follow‐up longer than T
min. But extending the follow‐up for all patients delays trial completion. We propose an alternative trial design and analysis method that potentially increases statistical power without extending the trial duration or increasing the sample size. We propose following the last enrolled patient until T
min, with earlier enrollees having variable follow‐up durations up to a maximum of T
max. The sample size at T
max will be smaller than at T
min, and due to staggered enrollment, data missing at T
max will be missing completely at random. For analysis, we propose an alpha‐adjusted procedure based on the smaller of the p values at T
min and T
max, termed . This approach can provide the highest power when the powers at T
min and T
max are similar. If the power at T
min and T
max differ significantly, the power of is modestly reduced compared with the larger of the two powers. Rare disease trials, due to the limited size of the patient population, may benefit the most with this design.
Development and clinical validation of a deep learning‐based knee CT image segmentation method for robotic‐assisted total knee arthroplasty
Authors: Liu Xingyu , Li Songlin , Zou Xiongfei , Chen Xi , Xu Hongjun , Yu Yang , Gu Zhao , Liu Dong , Li Runchao , Wu Yaojiong , Wang Guangzhi , Liao Hongen , Qian Wenwei , Zhang Yiling
Published: July 2024

Background

This study aimed to develop a novel deep convolutional neural network called Dual‐path Double Attention Transformer (DDA‐Transformer) designed to achieve precise and fast knee joint CT image segmentation and to validate it in robotic‐assisted total knee arthroplasty (TKA).

Methods

The femoral, tibial, patellar, and fibular segmentation performance and speed were evaluated and the accuracy of component sizing, bone resection and alignment of the robotic‐assisted TKA system constructed using this deep learning network was clinically validated.

Results

Overall, DDA‐Transformer outperformed six other networks in terms of the Dice coefficient, intersection over union, average surface distance, and Hausdorff distance. DDA‐Transformer exhibited significantly faster segmentation speeds than nnUnet, TransUnet and 3D‐Unet (p < 0.01). Furthermore, the robotic‐assisted TKA system outperforms the manual group in surgical accuracy.

Conclusions

DDA‐Transformer exhibited significantly improved accuracy and robustness in knee joint segmentation, and this convenient and stable knee joint CT image segmentation network significantly improved the accuracy of the TKA procedure.
The multi‐faceted relationship between nitrogen mineralization and soil texture
Authors: Geisseler Daniel , Miller Kenneth , Santiago Suzette , Abou Najm Majdi
Published: July 2024

Soil texture can affect soil temperature, soil moisture, the protection of organic material against microbial degradation, and other soil properties. All these factors potentially influence net nitrogen (N) mineralization. The objective of this analysis is to investigate the relationship between soil texture and net N mineralization using different approaches, including a 10‐week laboratory incubation of undisturbed soil cores from 47 sites in California, modeling, and a meta‐regression analysis of 461 datasets from 20 studies. In the laboratory incubation as well as in the meta‐analysis, total soil N increased significantly with increasing clay content. Net N mineralization expressed in mg kg−1 soil did not change significantly with increasing clay content, but significantly decreased when expressed as a proportion of total soil N. These results are most likely explained by physical and chemical protection of organic molecules by clay minerals. Protection in turn led to the observed increase in total soil N over time. Based on the incubation and measured bulk densities, net N mineralization in the top 15 cm of the soil profile was 30% higher in a sandy loam compared to a clay soil. Model simulations indicated that texture‐related differences in soil temperature and moisture have only a small effect on net N mineralization in irrigated agricultural fields under Mediterranean conditions.
Effect of Plasticizer Type on Polymer Inclusion Membranes Properties and Performance for Zinc Separation
Authors: Mahmoud Hayet , Othmen Kemla , Ncib Sana , Alyani Ibtissem , Dammak Lasâad , Elaloui Elimame , Bouguerra Wided
Published: July 2024

The goal of the present study is to evaluate the effect of plasticizer in PIMs properties and performance for zinc separation. Membranes were prepared by casting a solution containing poly (vinyl chloride) (PVC) as base polymer, di (2‐ethylhexyl) phosphoric acid (D2EHPA) as carrier, and 2‐nitrophenyl octyl ether (NPOE) or tris (2‐butoxyethyl) phosphate (TBEP) as plasticizers. The newly developed PIMs transported practically all ZnII ions from a feed phase at pH 5 to a 1 M H2SO4 stripping phase. The results showed that the transport flux and its efficiency depend on the chemical nature of the plasticizer. It can be perceived that NPOE (with dielectric constant of 23.1) produced the highest transport flux of zinc (J0=1.62±0.05 10−5 mol m−2 s−1). The single ion transport of zinc was significantly higher than the binary and ternary mixtures. In ternary solution, the transport efficiency for metal ions was in the order of ZnII>CuII>NiII. The transport efficiency of the PVC/NPOE/D2EHPA membrane remained constant until the seventh use. The findings of this work will allow the invention of advanced separation technology ensuring the sustainability of metal resources.
The Role of Surfactant Head Group Charge on Binding of Hoechst 33258 with Micelles
Authors: Shit Debatri , Das Priyabrata , Mandal Pabitra , Pramanik Smritimoy
Published: July 2024

Owing to the diverse biological application, photophysical behaviour of Hoechst 33258 (H33258) is an important topic in biophysical research. Here, we have reported the photophysical behavior of H33258 in model biomembrane mimicking micellar microenvironment. In order to understand the molecular mechanism of the interaction of H33258 with micelles, we have used cationic (Hexadecetyltrimethyl ammonium bromide (CTAB)), anionic (sodium dodecyl sulphate (SDS)), and non‐ionic (t‐octylphenoxypolyoxyethanol, Triton‐X100 (TX 100)) micelles. From the steady‐state emission study the evaluated apparent binding constant (Kb) values for the complex formation between H33258 and CTAB, SDS and TX 100 micelle were (1.45±0.42)×105, (31.95±4.89)×105 and (3.10±0.73)×105 M−1, respectively. Thus, it was found that the Kb value was greater in the case of anionic micelle than non‐ionic and cationic micelles. Such differences in Kb values were due to the electrostatic interaction and hydrogen bond formation between the probe molecule and micelles. In addition, time‐resolved fluorescence decay and time‐resolved fluorescence anisotropy studies were performed to understand the dynamical behavior of H33258 in presence of micelles. The interaction of H33258 with micelles might be useful to study the structure and dynamics of different bio‐membranes and to formulate new drug delivery system.
A Brief Review on the Synthesis of 4H‐Chromene‐Embedded Heterocycles
Authors: Sharon K. Nissi , Padmaja P. , Reddy P. Narayana
Published: July 2024

Chromenes are an essential class of oxygen‐containing heterocyclic compounds with intriguing biological activity. It is an important moiety for the discovery of new drug candidates. Chromenes are naturally abundant as alkaloids, tocopherols, flavones, and anthocyanins. The incorporation of 4H‐chromene, along with various bioactive heterocycles such as indole, pyrazole, kojic acid, pyran‐2‐one, quinoline, pyridine, pyrimidine, coumarin, sesamol, furan, uracil, benzoimidazole, benzotriazole, thiazole, isoxazole and barbituric acid moieties, into a molecular scaffold has the potential to combine the properties of both components. The synergistic effect of combining different heterocyclic moieties within a 4H‐chromene nucleus results in the formation of valuable compounds with significant biological importance. This review summarizes the different synthetic techniques used for preparing 4H‐chromene‐embedded heterocycles. The common mechanisms of key reactions and the significance of the method are discussed.
Molecular Interactions of β‐Lactamase Enzyme KPC2 and Carbapenem Antibiotics: Computational Chemistry and Artificial Intelligence Analysis
Authors: Leyva‐Aizpuru Ana‐Paola , Dominguez‐Garcia Rodrigo , Hinojos‐Gallardo Luis‐Carlos , Camarillo‐Cisneros Javier
Published: July 2024

The development of drugs to combat disease is a constantly evolving issue of great importance to the entire population. Among this group of molecules, broad‐spectrum antibiotics stand out as the clinical choice of physicians. The family of carbapenems are broad‐spectrum antibiotics used to treat diseases caused by gram‐positive and gram‐negative bacteria that have developed resistance to multiple antibiotics through enzyme production. This research focuses on the characterization of carbapenem enzyme systems using computational chemistry at the level of force field, artificial intelligence, and density functional theory. The computational results on antibiotic molecular structures have been compared with experimental references from UV‐vis spectroscopy, demonstrating high accuracy of several hybrid functionals. For the β‐Lactamase enzyme KPC2, the computational models of FF and AI agreed with the folded structure reported by X‐ray diffraction. Finally, the catalytic site calculated by Docking where the carbapenems‐enzyme interaction takes place was also in agreement with experimental data using water as medium and even in weak acids such as ethanol or methanol. Overall, the above computational characterization provides an understanding of how accurate current computational methods are for understanding the origin of bacterial resistance to one of the latest generation antibiotic families.
Solar to Thermal Energy Conversion Potential of Carbon Nanotubes Modified Copper Oxide Nanocomposite Thin Film Solar Selective Absorbers
Authors: Vinayagar Karanthamalai , Karthick Kumar Senthuran , Almansour Abdulrahman I. , Sivaramasundaram Krishnamoorthy , Selvi Jayaraj , Pugazhenthiran Nalandhiran , Kandasamy Muthusamy , Muthuchelian Krishnasamy , Suresh Santhanakrishnan
Published: July 2024

Carbon nanotubes modified copper oxide nanocomposite (CNTs–CuO NC) selective absorbers were prepared through a sol‐gel method by varying weight percentage of CNTs and coated on aluminum (Al) substrates using a dip coating technique to form thin films (TFs). The surface morphology of CNTs–CuO NC TF examined by scanning electron microscopy disclosed linear arrangement of CNTs–CuO NC TF with average particle diameter of 200±30 nm. The X‐ray diffractometer analysis of the CNTs–CuO NC TF revealed the presence of CuO in monoclinic crystal structure. Moreover, the X‐ray diffractometer analysis disclosed good crystalline quality of the CNTs–CuO NC TF and average crystallite size of the CuO and CNTs–CuO NC TF was found to be 69.38 and 85.94 nm, respectively. The energy dispersive X‐ray spectrum of CNTs–CuO NC TF ascertained the presence of Cu, O and C elements with atomic weight proportion of 71.07, 21.61 and 7.32 %, respectively. The functional groups investigation by FTIR spectroscopy exhibited distinct spectral features of CNTs and the peaks observed at 516.78 and 588.70 cm−1 correspond to the characteristic vibrations of metal‐oxygen (M−O) bond that indicates the presence of CuO in the hybrid CNTs‐CuO NC TF. The optical property of the CNTs–CuO NC TF with CNTs weight proportion of 0.5 % inspected through UV‐Vis‐NIR spectroscopy exhibited high solar absorptance and thermal emittance values of 85.9 and 4.3 %, respectively. The observed highest solar selectivity value of 19.98 suggests that the CNTs–CuO NC TF coating can be apparently used as solar selective absorber.
Investigation of Some Metabolic Enzyme Inhibition Properties of Novel Chalcone‐Cu Complexes
Authors: Ebiri Rustem , Turgut Muhammet , Aktas Anil Derya , Demir Yeliz , Saglamtas Ruya , Abdullah Alagoz M. , Algul Oztekin , Burmaoglu Serdar
Published: July 2024

Fourteen novel Chalcone‐Cu complexes were effectively synthesized in this work. The newly synthesized Chalcone‐Cu complexes were assessed for their effects on human carbonic anhydrase isoenzymes I and II, acetylcholinesterase enzymes, and antioxidant activity. The intricate compounds exhibited Ki values ranging from 41.65–190.42 nM against hCA I, 15.79–259.07 nM against hCA II, and 14.36–175.73 nM against AChE enzymes. These complexes demonstrated potent inhibitory profiles against the specified metabolic enzymes, surpassing the inhibitory effects of acetazolamide (for hCA I and II) and tacrine (for AChE). The antioxidant properties of the compounds were assessed using DPPH and ABTS radical scavenging assays, revealing that the complexes had moderate to high efficacy in neutralizing free radicals. All complexes underwent molecular docking experiments. Compounds 14, 22, and 23 yielded the highest docking scores. Compound 14 demonstrated a docking score of −6.414 kcal/mol against hCAI, whereas compound 23 attained a docking score of −6.697 kcal/mol against hCA II. Compound 22 exhibited the most favorable docking score of −9.645 kcal/mol against AChE. The acquired results have the potential to help towards the development of new drugs containing Cu complex structures for the treatment of prevalent ailments such as glaucoma and Alzheimer's diseases.
Solvent and Metal‐Ligand Co‐Assisted Synthesis of Self‐Supporting Ni‐Co‐Mo‐S Cross‐Linked Nanostructures for Supercapacitors
Authors: He Siwei , Liu Shuang , Xiang Yanhong , Wu Xiangsi , Wu Xianwen , Peng Xiaochun , Wu Jianhua
Published: July 2024

Construction of prosperous morphology and incorporation of multiple metals with synergistic effect can effectively enhance the electrochemical performance of electrode materials. Herein, transition metal (Ni, Co, Mo) sulfides (NCM‐DI, NCM‐DI‐NTA, NCM‐EG, NCM‐EG‐NTA, NCM‐Mix‐NTA) were synthesized, and the morphology was adjusted by incorporating metal ligand and altering the solvent atmosphere. The addition of ligand nitrilotriacetic acid (NTA) endowed the formation of cross‐linked network (NCM‐DI‐NTA, NCM‐EG‐NTA, NCM‐Mix‐NTA), and the as‐prepared materials generated in mixed solvent (NCM‐Mix‐NTA) displayed smaller size. Materials with NTA added (NCM‐DI‐NTA, NCM‐EG‐NTA, NCM‐Mix‐NTA) displayed higher specific capacity (754, 943 and 1206 F g−1, respectively), which is much higher than NCM‐EG (909 F g−1) and NCM‐DI (331 F g−1). After doped with rGO, the materials (NCM‐Mix‐NTA‐rGO) exhibited a specific capacity of 1984 F g−1 at 1 A g−1. When assembled into asymmetric supercapacitors, it delivered the energy density of 61.6 Wh kg−1 at a power density of 901.4 W kg−1, and maintained the 86.5 % of their initial capacity even after 5000 cycles.
Copper‐Catalyzed One‐Pot Three‐Component Aminophosphinoylation of 1,4‐Naphthoquinone
Authors: Wang Bin , Han Wancang , Zhang Yonghong , Chen Ziren , Xia Yu , Wu Shaofeng , Xue Fei , Jin Weiwei , Liu Chenjiang
Published: July 2024

A copper‐catalyzed one‐pot three‐component aminophosphinoylation reaction of 1,4‐naphthoquinone with disubstituted phosphine oxides and arylamines has been developed. Various disubstituted phosphine oxides and arylamines with diverse structures and electronic properties can work smoothly with 1,4‐naphthoquinone, afforded a series of corresponding aminophosphinoylated 1,4‐naphthoquinones with up to 96 % isolated yield. The present method features easily available reagents, operational simplicity, broad substrate scope, high atom and step economy. The potential practicality of this protocol was further demonstrated by gram‐scale synthesis.
Development of Novel Amino Acids Containing N‐mercaptophenetyl (MPE)‐type Auxiliary and Orthogonal Protecting Groups for Sequential Ligation of Multiple Peptides
Authors: Taguchi Yoshinori , Watanabe Kohei , Sato Kohei , Mase Nobuyuki , Narumi Tetsuo
Published: July 2024

Chemoselective peptide ligation using ligation auxiliaries is a powerful methodology to extend the scope of native chemical ligation beyond ligation at Cys. Herein, we report the development of novel amino acids containing an N‐mercaptophenethyl (MPE)‐type auxiliary and protecting groups (i. e., tert‐butyloxycarbonyl (Boc), 1,3‐thiazolidine (Thz), and allyloxycarbonyl (Alloc)). These developed amino acids can be introduced into a peptide via 9‐fluorenylmethoxycarbonyl‐based solid‐phase peptide synthesis, enabling deprotection and native chemical ligation in one pot. The combination of Thz‐type and Alloc‐type acids enables sequential peptide ligation, which is applicable to the synthesis of peptides branched from a Lys side chain. We also found that the multiple N‐MPE groups are efficiently cleaved upon treatment with tris(2‐carboxyethyl)phosphine and morpholine in the presence of SnCl2.
Corporate social responsibility at the margins: Firms' responses to marginal inclusion on the Vault Law 100 ranking
Authors: Jung Wooseok , Sharkey Amanda , Tan David
Published: July 2024

Research Summary

Gaining categorical status via a ranking places firms in a new comparison group and makes their behaviors more visible, potentially exposing them to greater scrutiny. How do marginally included firms respond? In this article, we propose that firms will take action in the area of CSR in order to secure their standing, deflect potential criticism, and reduce the anxiety that arises, paradoxically, from being included in a ranking. Using a regression discontinuity design involving law firms’ pro bono policies, we find support for our arguments. Consistent with the mechanism of status anxiety, the effects of marginal inclusion are amplified for firms with greater rank volatility. However, we find no difference in pro bono hours. We discuss implications for theories involving status, CSR, and decoupling.

Managerial Summary

Today, firms are evaluated by rankings and ratings more frequently than ever. This continuous external surveillance heightens organizational anxieties, especially among firms that are marginally included. This study explores the strategic responses of such firms, proposing that they enhance their corporate social responsibility (CSR) efforts in order to secure their standing, conform with expectations, and preemptively counter criticism. Analyzing pro bono policies of the largest U.S. law firms, the results support this idea and suggest that the tendency is particularly salient when firms' rank positions have fluctuated significantly. The findings offer insights into how rankings affect firms' CSR strategies and their efforts to balance status and performance.
Partitioning of an Enzyme‐Polymer Surfactant Nanocomplex into Lipid‐Rich Cellular Compartments Drives In Situ Hydrolysis of Organophosphates
Authors: Carter Benjamin M. , Day Graham J. , Zhang William H. , Sessions Richard B. , Jackson Colin J. , Perriman Adam W.
Published: July 2024

Most organophosphates (OPs) are hydrophobic, and after exposure, can sequester into lipophilic regions within the body, such as adipose tissue, resulting in long term chronic effects. Consequently, there is an urgent need for therapeutic agents that can decontaminate OPs in these hydrophobic regions. Accordingly, an enzyme–polymer surfactant nanocomplex is designed and tested comprising chemically supercharged phosphotriesterase (Agrobacterium radiobacter; arPTE) electrostatically conjugated to amphiphilic polymer surfactant chains ([cat.arPTE][S−]). Experimentally‐derived structural data are combined with molecular dynamics (MD) simulations to provide atomic level detail on conformational ensembles of the nanocomplex using dielectric constants relevant to aqueous and lipidic microenvironments. These show the formation of a compact admicelle pseudophase surfactant corona under aqueous conditions, which reconfigures to yield an extended conformation at a low dielectric constant, providing insight into the mechanism underpinning cell membrane binding. Significantly, it demonstrated that [cat.arPTE][S−] spontaneously binds to human mesenchymal stem cell membranes (hMSCs), resulting in on‐cell OP hydrolysis. Moreover, the nanoconstruct can endocytose and partition into the intracellular fatty vacuoles of adipocytes and hydrolyze sequestered OP.
Photoluminescence Enhancement of 0D Organic–Inorganic Metal Halides via Aggregation‐Induced Emission and Halide Substitution
Authors: Lin Fang , Luo Jian , Li Zhendong , Yu Guicheng , Zhou Chao , Han Yonglei , Wu Junsheng , Wang Yongfei , Hei Xiuze , Zhou Kang , Xu Liang‐Jin , Li Jingbai , Lin Haoran
Published: July 2024

0D organic–inorganic metal halides (OIMHs) provide unprecedented versatility in structures and photoluminescence properties. Here, a series of bluish‐white emissive 0D OIMHs, (TPE‐TPP)2Sb2BrxCl8‐x (x = 1.16 to 8), are prepared by assembling the 1‐triphenylphosphonium‐4‐(1,2,2‐triphenylethenyl)benzene cation (TPE‐TPP)+ with antimony halides anions. Based on experimental characterizations and theoretical calculations, the emission of the 0D OIMHs are attributed to the fluorescence of the organic cations with aggregation‐induced emission (AIE) properties. The 0D structure minimized the molecular motion and intermolecular interactions between (TPE‐TPP)+ cations, effectively suppressing the non‐radiative recombination processes. Consequently, the photoluminescence quantum efficiency (PLQE) of (TPE‐TPP)2Sb2Br1.16Cl6.84 is significantly enhanced to 55.4% as compared to the organic salt (TPE‐TPP)Br (20.5%). The PLQE of (TPE‐TPP)2Sb2BrxCl8‐x can also be readily manipulated by halide substitution, due to the competitive processes between non‐radiative recombination on the inorganic moiety and the energy transfer from inorganic to organic. In addition, electrically driven light‐emitting diodes (LEDs) are fabricated based on (TPE‐TPP)2Sb2Br1.16Cl6.84 emitter, which exhibited bluish‐white emission with a maximum external quantum efficiency (EQE) of 1.1% and luminance of 335 cd m−2. This is the first report of electrically driven LED based on 0D OIMH with bluish‐white emission.
Preparation of a self‐supported zeolite glass composite membrane for CO2/CH4 separation
Authors: Li Dudu , Ye Mao , Ma Chao , Li Ning , Gu Zhenjie , Qiao Zhihua
Published: July 2024

The low porosity of metal‐organic framework glass makes it difficult to prepare membranes with high permeability. To solve this problem, we fabricated a series of self‐supported zeolite glass composite membranes with different 4A zeolite loadings using the abundant pore structure of the zeolite. The 4A zeolite embedded in the zeolite glass composite membrane preserved the ligand bonds and chemical structure. The self‐supported zeolite glass composite membranes exhibited good interfacial compatibility. More importantly, the incorporation of the 4A zeolite significantly improved the CO2 adsorption capacity of the pure agZIF‐62 membranes. In addition, gas separation performance measurements showed that the (agZIF‐62)0.7(4A)0.3 membrane had a permeability of 13,329 Barrer for pure CO2 and an ideal selectivity of 31.7 for CO2/CH4, which exceeded Robeson's upper bound. The (agZIF‐62)0.7(4A)0.3 membrane exhibited good operational stability in the variable pressure test and 48 h long‐term continuous test. This study provides a method for preparing zeolite glass composite membranes.
Stress–strain characteristics of fire‐exposed recycled coarse aggregate concrete
Authors: Tariq Faraz , Hasan Hamza , Bhargava Pradeep
Published: July 2024

Concrete sustainability and performance under extreme conditions are of growing interest in construction engineering. This study delves into the influence of recycled coarse aggregate (RCA) content and elevated temperatures on normal‐strength concrete containing RCA. Five different concrete compositions, featuring varying content of RCA (ranging from 0% to 100%), were examined. The heating and subsequent cooling followed the ISO‐834 temperature–time graph up to 800°C. The primary objective was to evaluate residual properties, including the stress–strain behavior, compressive and tensile strength, secant elastic modulus, peak strain, and bond strength of RCA concrete. The findings reveal a consistent decrease in both strength and stiffness parameters of RCA concrete with rising temperatures, while peak strain exhibits a rapid increase at elevated temperatures. Interestingly, RCA content had a negligible impact on the relative deterioration of high‐temperature exposed RCA concrete compared to that at ambient conditions. Moreover, the bond behavior closely resembled that of natural aggregate concrete when used in moderate proportions. Degradation models based on regression analysis of the data were used to quantify the bond strength reduction for RCA‐based concrete and the slip of rebar concerning various temperatures. Importantly, these models demonstrated consistency with those applicable to conventional concrete.
Influence of soil‐structure interaction on the behavior of the tower‐foundation system of a horizontal‐axis wind turbine
Authors: Medeiros Iálysson da Silva , Bello Maria Isabela Marques da Cunha Vieira , de Lima Douglas Mateus
Published: July 2024

The ongoing advancement of wind turbines, aiming for taller towers to harness more intense winds, poses substantial structural challenges. Soil‐structure interaction (SSI) assumes fundamental importance, necessitating precise analysis, and mathematical modeling. This study focuses on examining how SSI influences horizontal‐axis wind turbine tower‐foundation systems. Six numerical models, varying from simplified to more complex representations, are created using the finite element method (FEM) in ANSYS software. The analysis reveals significant sensitivity to support conditions, particularly elastic supports, causing the greatest displacement at the tower's top (1.899 m), highlighting the substantial influence of SSI and second‐order effects. Incorporating SSI and second‐order effects results in a 30.11% increase in von Mises stress at the base flange (73.4 MPa), compared to models excluding these factors. Stress variation along the tower height notably increases with second‐order effects; however, the structure maintains a 13.32% safety margin relative to steel load‐bearing capacity. Foundation analyses indicate stresses exceeding concrete's allowable stress by 24.3%, underscoring the need for foundation optimization. These results stress the importance of considering SSI and geometric nonlinearity for wind turbine development. The lack of comparable studies in literature underscores the significance of this research in advancing the field's knowledge.
Logistics customer service and customer satisfaction: Importance‐based segments for motor carriers
Authors: Garver Michael S. , Williams Zachary
Published: July 2024

The current research presents a middle‐range theorization of logistics customer service attributes predicting overall customer satisfaction for motor carriers. Latent class regression (LCR) analysis was employed to identify importance‐based segments by examining the relationships between logistics customer service attributes and overall satisfaction as measured by the American Customer Satisfaction Index. LCR analysis identified three importance‐based segments, including a segment focused on basic logistics services, a segment focused on sustainability, and a segment focused on security. Correlated components regression analysis was employed to refine the models of each segment to better understand what logistic customer service attributes were most important to each segment. Following an abductive reasoning process, these research results are compared with the theory of strategic purity.
Synthesis and Characterization of NHC Stabilized Bis(phenylsulfanyl)stannylene
Authors: Mammadova Aynura , Bruhn Clemens , Pietschnig Rudolf
Published: July 2024

Reaction of two equivalents of ((CH3)3Si)2C(C6H5)SLi ⋅ 3THF with SnCl2⋅IDipp(IDipp=1,3‐bis(2,6‐diisopropylphenyl)imidazol‐2‐ylidene) led to fragmentation of the organolithium component and gave IDipp⋅Sn(SPh)2, compound 3. The latter compound has been further prepared from Ph‐SSi(CH3)3 whereas disproportionation of the Sn(II) species was observed when starting from Ph‐SLi. The stannylene adduct 3 has been characterized spectroscopically and its structure was explored with single crystal X‐ray diffraction (SCXRD). The carbene donor in 3 can be displaced by chloride, upon formal HCl addition, giving rise to the ionic stannylene adduct 4 [IDippH]+[SnCl(SPh)2]−, the structure of which was investigated with SCXRD as well.
Dose prescription for stereotactic body radiotherapy: general and organ-specific consensus statement from the DEGRO/DGMP Working Group Stereotactic Radiotherapy and Radiosurgery
Authors: Brunner Thomas B. , Boda-Heggemann Judit , Bürgy Daniel , Corradini Stefanie , Dieckmann Ute Karin , Gawish Ahmed , Gerum Sabine , Gkika Eleni , Grohmann Maximilian , Hörner-Rieber Juliane , Kirste Simon , Klement Rainer J. , Moustakis Christos , Nestle Ursula , Niyazi Maximilian , Rühle Alexander , Lang Stephanie-Tanadini , Winkler Peter , Zurl Brigitte , Wittig-Sauerwein Andrea , Blanck Oliver
Published: July 2024

Purpose and objective

To develop expert consensus statements on multiparametric dose prescriptions for stereotactic body radiotherapy (SBRT) aligning with ICRU report 91. These statements serve as a foundational step towards harmonizing current SBRT practices and refining dose prescription and documentation requirements for clinical trial designs.

Materials and methods

Based on the results of a literature review by the working group, a two-tier Delphi consensus process was conducted among 24 physicians and physics experts from three European countries. The degree of consensus was predefined for overarching (OA) and organ-specific (OS) statements (≥ 80%, 60–79%, < 60% for high, intermediate, and poor consensus, respectively). Post-first round statements were refined in a live discussion for the second round of the Delphi process.

Results

Experts consented on a total of 14 OA and 17 OS statements regarding SBRT of primary and secondary lung, liver, pancreatic, adrenal, and kidney tumors regarding dose prescription, target coverage, and organ at risk dose limitations. Degree of consent was ≥ 80% in 79% and 41% of OA and OS statements, respectively, with higher consensus for lung compared to the upper abdomen. In round 2, the degree of consent was ≥ 80 to 100% for OA and 88% in OS statements. No consensus was reached for dose escalation to liver metastases after chemotherapy (47%) or single-fraction SBRT for kidney primaries (13%). In round 2, no statement had 60–79% consensus.

Conclusion

In 29 of 31 statements a high consensus was achieved after a two-tier Delphi process and one statement (kidney) was clearly refused. The Delphi process was able to achieve a high degree of consensus for SBRT dose prescription. In summary, clear recommendations for both OA and OS could be defined. This contributes significantly to harmonization of SBRT practice and facilitates dose prescription and reporting in clinical trials investigating SBRT.
Rare case of myelodysplastic syndrome with excess blasts 2 developing after adjuvant chemoradiotherapy for triple-negative breast cancer in a patient with Bloom syndrome
Authors: Gürbüz Ali Fuat , Eryılmaz Melek Karakurt , Yıldız Oğuzhan , Kılınç Fahriye , Araz Murat , Artaç Mehmet
Published: July 2024

Introduction

Bloom syndrome (BS) is a rare autosomal recessive disorder caused by a loss-of-function mutation in the BLM gene encoding an RecQ helicase involved in DNA repair and maintenance of chromosomal stability. In patients with BS, significant sensitivity to both DNA-damaging chemotherapy (CT) and ionizing radiation complicates the management of neoplasms by exacerbating comorbidities and predisposing to toxicities and poor outcomes.

Case report

A 30-year-old female patient diagnosed with BS who presented with early-stage triple-negative breast cancer was treated with four cycles of doxorubicin (60 mg/m2) and cyclophosphamide (600 mg/m2) followed by weekly paclitaxel (80 mg/m2) for 12 weeks as the chemotherapy protocol and a total of 5000 cGy curative radiotherapy (RT). Due to pancytopenia 8 months after completion of therapy, bone marrow biopsy and aspiration were performed, and a diagnosis of myelodysplastic syndrome with excess blasts 2 (MDS-EB2) was made. Two courses of the azacitidine (75 mg/m2) protocol were administered every 28 days in the hematology clinic. Two weeks after CT the patient was transferred from the emergency department to the hematology clinic with the diagnosis of pancytopenia and febrile neutropenia. She died at the age of 33 due to sepsis that developed during follow-up.

Conclusion

Due to the rarity of BS, there is no prospective trial in patients with cancer and no evidence base upon which to design treatment programs. For these reasons, it is strongly recommended that patients receive multidisciplinary care, with precise assessment and discussion of the indication and an adequate dose of DNA-damaging agents such as chemotherapy and ionizing radiation.