bluuebunny/crossref_metadata_2025 huggingface dataset:
Correlation between reactivity descriptors and electronic pressures: A different application of SBO orbitals
Authors: García Víctor , Zorrilla David , Fernández Manuel , Sánchez‐Márquez Jesús
Published: July 2024

This research has discovered relationships between atom reactivity parameters (such as electronegativity or hardness) and the pressure exerted on their electronic shells. These relationships are derived from the relationship between the radius of the atom confined within a spherical box and the pressure exerted on the box by its electrons. To determine the pressure corresponding to each radius, it was essential to formulate a set of new basis functions valid for calculating the energy of confined atoms. These new basis functions, Simplified Box Orbitals (SBOs), stem from the previously studied SBOs, but their coefficients are obtained variationally instead of being fitted to a Slater‐Type Orbital (STO), and the powers (R−r)k are selected differently. These differences make them especially suitable for treating confined atoms and distinguishing between “hard” and “soft” confinements. This methodology has proven useful for accurately calculating the properties of various atoms under different pressures, namely H, He, Li, Be, B, C, N, O, F, and Ne. Furthermore, we believe that the new basis functions are suitable for obtaining Gaussian expansions that will enable the treatment of confined molecules, which we intend to study in a subsequent work.
A hydrolyzed N‐propionylthiosuccinimide linker is cleaved by metastable fragmentation, increasing reliability of conjugation site identification in conjugate vaccines
Authors: Ramos‐Bermúdez Pablo E. , Pousa Satomy , Carvalho Paulo , Brant Rodrigo Soares Caldeira , Batista Michel , Hojo Hironobu , Garay Hilda E. , Roscoe Abel , Mallón Alina Rodríguez , Besada Vladimir , Takao Toshifumi , González Luis Javier
Published: July 2024

RATIONALE

Conjugation sites are a quality attribute of conjugate vaccines. Proteolysis of bioconjugates synthesized by maleimide–thiol chemistry generates type 2 peptides with a hydrolyzed thiosuccinimide linker containing information on the conjugation sites. A mass spectrometry (MS)‐cleavable linker could make the identification of conjugation sites by MS more reliable.

METHODS

Four synthetic type 2 peptides with a hydrolyzed thiosuccinimide linker were analyzed by matrix‐assisted laser desorption ionization (MALDI) MS/MS with and without collision gas. These peptides were also partially labeled with 18O in the linker to confirm the proposed fragmentation mechanism. A conjugate vaccine with the hydrolyzed thiosuccinimide linker was reduced and S‐alkylated, digested with trypsin and analyzed by liquid chromatography–MS/MS using collision‐induced dissociation (CID) and higher‐energy collisional dissociation (HCD) fragmentation methods at a normalized collision energy of 30.

RESULTS

A metastable fragmentation preferentially cleaves the newly formed pseudopeptide bond within the hydrolyzed thiosuccinimide linker of type 2 peptides to yield P + 71 and C + 98 ions. These ions make the assignment of conjugation sites more reliable. Partial 18O‐labeling and MS/MS analysis confirmed the proposed structures. CID produces these ions as the two most intense signals more favorably than HCD. The latter also yields these ions, guarantees better sequence coverage and promotes other fragmentations in the linker.

CONCLUSIONS

Hydrolyzed thiosuccinimide linker is cleavable in MALDI and electrospray ionization MS/MS analysis by a gas‐phase metastable fragmentation. The resulting fragment ions (P + 71 and C + 98) make the identification of conjugation sites more reliable. These results could be extended to self‐hydrolyzing maleimides, which efficiently stabilize the thiosuccinimide linker upon hydrolysis, in antibody–drug conjugates.
Lead Complexes of 3‐(2‐pyridyl)‐5‐(4‐methoxyphenyl)‐1,2,4‐Triazine: Synthesis, Characterization and Application in Organic Light‐Emitting Diodes (OLEDs)
Authors: Arkak Akbar , Hossaini Sadr Moayad , Marandi Farzin , Fuhrmann Daniel , Janghouri Mohammad
Published: July 2024

Three new Pb(II) complexes of 3‐(2‐pyridyl)‐5‐(4‐methoxyphenyl)‐1,2,4‐triazine (PMPT) ligand with different anionic co‐ligands (1: nitrate, 2: perchlorate and 3: isothiocyanate) in 2 : 1 molar ratios of PMPT ligands and lead(II) salts, [Pb(PMPT)2(NO3)2] (1), [Pb(PMPT)2(ClO4)2] (2) and [Pb(PMPT)2(NCS)2] (3) were synthesized and characterized by physicochemical (CHN, FT‐IR and 1H NMR) and single‐crystal X‐ray diffraction methods. By considering the obtained structural parameters, the lead atoms in 1, 2 and 3 have PbN4O4, PbN4O2 and PbN6 environments, respectively, with holodirected (for 1) and hemidirected (for 2 and 3) coordination spheres. We used electro‐optical Pb(II) complexes family as emitting layer to investigate in fabrication of OLEDs. The current–voltage, luminescence‐voltage characteristics and the absorption (Abs) and electroluminescence (EL) properties of the complex have been investigated. The forester radius, quantum yield, and electroluminescence have been studied.
Efficient Chromophore Design with PICT Coupled TICT: Computational Studies on Hyperpolarizabilities of Pyridinium Benzimidazolates
Authors: Sitha Sanyasi
Published: July 2024

Previously synthesized six selected Pyridinium‐Benzimidazolate based zwitterions were investigated in this contribution. Of the selected molecules, two are TICT, two are PICT (twisted and planar intramolecular charge transfer types respectively), and the other two are PICT+TICT types. Generally, TICT vs PICT is the most widely used strategy for chromophore design by earlier researchers. In this work, impacts of PICT+TICT effects (two effects combined in one chromophore), through p‐phenylene bridges, on various fundamental properties like, dipole moments, polarizabilities, hyperpolarizabilities, adiabatic excitations were analyzed. Nonlinear optical (NLO) responses of the six molecules indicate that PICT more efficient than TICT (6‐11‐times enhanced β), and PICT+TICT more efficient than both PICT (~4 times enhanced β) and TICT (20–40 times enhanced β). Current work also shows the role of aromatic p‐phenylene bridge as an efficient communicator between the donor and acceptor, in enhancing the NLO and other response properties. This work suggests that inducing bridge aromatic control to a TICT chromophore (making it to exhibit an amalgamation of PICT and TICT effects) is an effective and efficient strategy in the designing of molecular nonlinear optical chromophores, over either PICT or TICT only.
Thiophene‐Based Multi‐layered 3D Chiral Polymer and Oligomer Containing Aggregate‐Induced Emission and Polarization
Authors: Ai Chan , Zhang Yue , Zhang Sai , Yan Shenghu
Published: July 2024

Thiophene‐based conjugated polymers show a unique position in the constantly expanding variety of conjugated polymers because of their outstanding optical and conductive characteristics. during the past few decades, many researchers have made significant contributions by developing new methods to create more effective materials for electronic applications. Employing one‐pot Suzuki polycondensation, a unique series of structurally condensed multicolumn/multilayer 3D polymers and oligomers have been developed and synthesized in this research. Polymers were produced with moderate to excellent yields in all instances, as examined by GPC and 1H‐NMR. The results from experiments of optical rotation and AIE investigation, show that the current work will benefit materials research and applications.
A longitudinal examination of appraisal, coping, stress, and mental health in students: A cross‐lagged panel network analysis
Authors: Spătaru Bianca , Podină Ioana R. , Tulbure Bogdan Tudor , Maricuțoiu Laurentiu P.
Published: July 2024

In their seminal Transactional Theory of Stress, Lazarus and Folkman described a complex adaptation mechanism that involves appraisal and coping processes that lead to the subjective experience of stress. In this study, we examined the temporal order of all components of this theory using a cross‐lagged panel analysis. A sample of 354 students (62.10% female, mean age = 20.63 y.o.) participated in a 5‐week study and completed weekly self‐reported measures of prospective appraisal, coping, core burnout, and mental health (i.e. depression, anxiety, and stress). Using cross‐lagged panel network analyses, we analyzed how each measured variable is predicted by all variables from the previous measurement moment. Convergent with the transactional stress theory, we found that threat appraisals and negative self‐perception predicted future anxiety and depression. Contrary to expectations, core burnout and somatization emerged as significant predictors of poor mental health outcomes, suggesting a self‐perpetuating spiral. Furthermore, our study highlighted the importance of recognizing the bidirectional connections between appraisals, coping strategies, and mental well‐being.
Modulating *OOH Adsorption on RuO2 for Efficient and Durable Acidic Water Oxidation Electrocatalysis
Authors: Yin Tingting , Yang Mengying , Tian Meng , Jiang Wei , Liu Guigao
Published: July 2024

Acidic water electrolysis is of considerable interest due to its higher current density operation and energy conversion efficiency, but its real industrial application is highly limited by the shortage of efficient, stable, and cost‐effective acidic oxygen evolution reaction (OER) electrocatalysts. Here, an electrocatalyst consisting of Ni‐implanted RuO2 supported is reported on α‐MnO2 (MnO2/RuO2‐Ni) that shows high activity and remarkable durability in acidic OER. Precisely, the MnO2/RuO2‐Ni catalyst shows an overpotential of 198 mV at a current density of 10 mA cm−2 and can operate continuously and stably for 400 h (j = 10 mA cm−2) without any obvious attenuation of activity, making it one of the best‐performing acid‐stable OER catalysts. Experimental results, in conjunction with density functional theory calculations, demonstrate that the interface electron transfer effect from RuO2 to MnO2, further enhanced by Ni incorporation, effectively modulates the adsorption of OOH* and significantly reduces the overpotential, thereby enhancing catalytic activity and durability.
Plasma Membrane‐Derived Biomimetic Apoptotic Nanovesicles Targeting Inflammation and Cartilage Degeneration for Osteoarthritis
Authors: Li Zongyi , Cheng Quhan , Lin Luoyao , Fu Xiaoling , Wang Yingjun
Published: July 2024

Osteoarthritis (OA) is a degenerative whole‐joint disease in which the synovium and joint cartilage become inflamed and damaged. The essential role of inflammation in the development of OA has been recognized recently. Accordingly, simultaneous regulation of local inflammation and tissue degeneration is proposed as a promising therapeutic strategy. Herein, multifunctional biomimetic apoptotic nanovesicles (Apo‐NVs) are constructed with plasma membrane derived from apoptotic T cells. The anti‐inflammatory microRNA‐124 is further encapsulated into Apo‐NVs in the hope of achieving an enhanced immunomodulatory effect. It is found that apoptotic nanovesicles, including Apo‐NVs and Apo‐NVs‐miR‐124, both efficiently promote the M2 repolarization of M1 macrophages and inhibit the degenerative phenotype of chondrocytes. Further in vivo studies show that Apo‐NVs and Apo‐NVs‐miR‐124 alleviate synovial inflammation and protect cartilage tissue from degeneration in OA mice. The study highlights the potential of Apo‐NVs in treating OA and other inflammation‐related diseases.
Interfacial cohesion model of ultra‐high performance concrete wet joints under the influence of multiple factors
Authors: Wang Tao , Xu Jun , Du Dagang , Su Chuanye , Shi Xiaofei
Published: July 2024

The interfacial cohesion between precast normal concrete (NC) and cast‐in‐place ultra‐high performance concrete (UHPC) is an important index to evaluate their interfacial bond strength, which is of great importance for the application of UHPC as a connection material for precast structural bridges. Interfacial cohesion is related to several influencing factors. However, there needs to be more research on the interrelationship model between multiple influencing factors and interfacial cohesion. This study took the UHPC wet joint in a precast concrete structure as the object. First, the relationship between the interface cohesion of UHPC wet joint and substrate strength, UHPC age, interfacial roughness, interfacial moisture content, and curing method was studied; The result shows that the key factors affecting interfacial cohesion include UHPC age, interface roughness, and substrate strength, with interfacial moisture content potentially playing a secondary role. Second, the failure types of the interface zone surface by using digital image correlation (DIC) are divided into three categories. Finally, the quantitative mathematical model of interfacial cohesion under the coupling effect of multiple factors was established based on the above four factors. The model is in good agreement with the experimental data.
Nonequilibrium Membrane Dynamics Induced by Active Protein Interactions and Chemical Reactions: A Review
Authors: Noguchi Hiroshi
Published: July 2024

Biomembranes wrapping cells and organelles are not only the partitions that separate the insides but also dynamic fields for biological functions accompanied by membrane shape changes. In this review, we discuss the spatiotemporal patterns and fluctuations of membranes under nonequilibrium conditions. In particular, we focus on theoretical analyses and simulations. Protein active forces enhance or suppress the membrane fluctuations; the membrane height spectra are deviated from the thermal spectra. Protein binding or unbinding to the membrane is activated or inhibited by other proteins and chemical reactions, such as ATP hydrolysis. Such active binding processes can induce traveling waves, Turing patterns, and membrane morphological changes. They can be represented by the continuum reaction‐diffusion equations and discrete lattice/particle models with state flips. The effects of structural changes in amphiphilic molecules on the molecular‐assembly structures are also discussed.
Molecular Information Processing in a Chemical Reaction Network Using Surface‐Mediated Polyelectrolyte Complexation
Authors: Hazal Koyuncu A. , Allegri Giulia , Moazzenzade Taghi , Huskens Jurriaan , Lindhoud Saskia , Wong Albert S. Y.
Published: July 2024

Biochemical communication is ubiquitous in life. Biology uses chemical reaction networks to regulate concentrations of myriad signaling molecules. Recent advances in supramolecular and systems chemistry demonstrate that feedback mechanisms of such networks can be rationally designed but strategies to transmit and process information encoded in molecules are still in their infancy. Here, we designed a polyelectrolyte reaction network maintained under out‐of‐equilibrium conditions using pH gradients in flow. The network comprises two weak polyelectrolytes (polyallylamine, PAH, and polyacrylic acid, PAA) in solution and one immobilized on the surface (poly‐l‐lysine, PLL). We chose PAH and PAA as their complexation process is known to be history‐dependent (i. e., the preceding state of the system can determine the next state). Surprisingly, we found that the hysteresis diminished as the PLL‐coated surface supported rather than perturbed the formation of the complex. PLL‐coated surfaces are further exploited to establish that reversible switching between the assembled and disassembled state of polyelectrolytes can process signals encoded in the frequency and duration of pH pulses. We envision that the strategy employed to modulate information in this polyelectrolyte reaction network could open novel routes to transmit and process molecular information in biologically relevant processes.
Generic delimitation of Bolanthus and resurrection of Jordania within Caryophylleae (Caryophyllaceae)
Authors: Madhani Hossein , Rabeler Richard K. , Zarre Shahin
Published: July 2024

Despite remarkable progress in taxonomy within Caryophyllaceae and the tribe Caryophylleae gained from molecular phylogenetic evidence, there are some unresolved issues on generic boundaries in this tribe mainly due to poor sampling of some crucial taxa. This study builds upon previous phylogenetic analyses to clarify the generic boundaries of Bolanthus and its associated taxa in Turkey. We used tribe‐wide molecular phylogenies and reviewed the taxonomic history to address the controversies surrounding the classification of Bolanthus. In 2018, a new genus, Graecobolanthus, was proposed for Greek members of Bolanthus, while the monotypic genus Phrynella was synonymized under Bolanthus. Subsequent research suggested that Bolanthus hirsutus, the type of the genus name, aligns with the Greek clade, casting doubt on the validity of Graecobolanthus. Here we suggest the resurrection of the generic name Jordania for the Turkish species of Bolanthus (including Phrynella), with Jordania minuartioides designated as the lectotype. This reclassification aims to resolve the nomenclatural confusion and reflect phylogenetic relationships accurately. According to this concept, the necessary combinations are made.
The Role of Oxidative Stress and DNA Hydroxymethylation in the Pathogenesis of Benzo[a]pyrene‐Impaired Reproductive Function in Male Mice
Authors: Gan Yu , Zhang Xiang , Cai Panyuan , Zhao Long , Liu Kaiyong , Wang Hua , Xu Dexiang
Published: July 2024

Benzo[a]pyrene (BaP), a polycyclic aromatic hydrocarbon, is known to cause teratogenesis. Environmental exposure of BaP has led to wide public concerns due to their potential risk of reproductive toxicity. However, the exact mechanism is still not clear. We aimed to explore the alterations of oxidative stress and DNA hydroxymethylation during BaP‐impaired reproductive function. BALB/c mice were intragastrically administered with different doses of BaP (0.01, 0.1, and 1 mg/kg/day, once a day), while control mice were administered with corn coil. Then, the reproductive function, alterations of oxidative stress, DNA methylation, and DNA hydroxymethylation of testis tissues were evaluated. We found that BaP caused obvious histopathological damages of testis tissues. As for sperm parameters after BaP administration, testis weight and the rate of teratosperm were increased, as well as sperm count and motility were decreased. In mechanism, BaP upregulated HO‐1 and MDA levels and downregulated SOD and CAT activity and GSH content in testis tissues, indicating that oxidative stress was induced by BaP. Furthermore, a significant induction of hydroxymethylation and inhibition of methylation were observed in testis tissues after BaP exposure. Collectively, BaP‐induced oxidative stress and hydroxymethylation were involved in impairing reproductive function, which may be the mechanism of the male infertility.
Development of human remains investigations at fatal fire scenes: Bridging anthropology and fire sciences in the United States
Authors: Friedlander Hanna , Kim Jaymelee J. , Allen Joe
Published: July 2024

Anthropological assessment of a scene for fatal fire victims can prove crucial in the search, recovery and identification of human remains from fire‐related death investigations. On scene contributions of the anthropologist include, but are not limited to, searching for remains in burnt structures, vehicles, roadside dumps, campfire accidents, and other fire investigations, as well as the proper documentation and collection of remains. While patterning and sequencing for all fire events is not standardized, thermal alteration can be classified and consistent terminology can be used to reflect commonalities and evaluation of thermally altered remains. Further, the anthropologist has the ability to evaluate damage to the remains in terms of possible associated trauma (e.g., antemortem, postmortem). However, scene investigators do not regularly call upon anthropologists to assist at the scene and often do not know the contributions and benefits of having an anthropologist on scene. This perspective article focuses on the development of fatal fire investigations within the United States, key terminology, and core concepts within anthropological sciences and provides recommendations for how fire investigators and anthropologists can collaborate–bridging the gap between the two fields. Uniting literature from fire science, anthropology, and fire investigations, this overview underscores the importance of anthropology and fire investigator collaboration.

This article is categorized under:

Forensic Anthropology > Taphonomic Changes and the Environment

Forensic Anthropology > Trauma Analysis

Forensic Anthropology > Anthropology in Mass Disaster & War Crime Contexts
Connectedness and Inequitable Access to Formal Financing in Uzbekistan
Authors: Ruziev Kobil
Published: July 2024

The belief that a centrally planned system results in wastefulness whilst a market-based system yields an efficient allocation of resources was central to post-Communist economies’ decisions to transform from a centrally planned to a market-based system. While this belief may well be true in principle, various inefficiencies also occur in market-based systems, particularly in the provision of financial services to businesses. For example, empirical research clearly demonstrates that the distribution of formal financing skews towards larger enterprises and against younger and smaller firms in market-based economies. Conventional explanations for this apparent inefficiency emphasise market and information imperfections as the major causes of misallocation. Yet, more recent studies show that institutional and political factors can also play an important role in resource allocation, which also affect economic outcomes: formally, through rules and regulations; and, informally, through individual political connections and interpersonal relations. A vital implication of this view is that political connectedness, which is interpersonal and exclusive in nature, also leads to inefficiencies in the distribution of formal financing. Building upon this understanding, this chapter investigates the impact of interpersonal connections on the inequitable distribution of formal financing in Uzbekistan.
JICA’s Legal Technical Assistance Projects in Vietnam, Cambodia and Laos Since the 1990s
Authors: Teramura Nobumichi
Published: July 2024

Many have written in English about the legislative and judicial systems of Vietnam, Cambodia and Laos. Fewer English writing commentators have investigated the modern legal histories of these jurisdictions. In particular, scant attention has been paid to a common feature in their recent development, the arguably pervasive influence of Japanese private law. Since the 1990s, the Japan International Cooperation Agency (JICA) has played a major role in the modernisation of law in the region. Through its legal technical assistance projects, JICA has provided support for the reform of codes and the training of lawyers in the use of those codes. This research critically examines JICA’s contribution to the rule of law in the former French Indochina region. It considers whether Japanese soft power (as manifested by JICA) complements or is at cross-purposes with projects of other organisations and initiatives (such as Asian Development Bank (ADB) and the World Bank). It evaluates the extent to which JICA’s work is currently attuned to or might be made more responsive to the social and economic aspirations of the relevant countries.
Virtually Free-by-Cyclic Groups
Authors: Kielak Dawid , Linton Marco
Published: July 2024

We obtain a homological characterisation of virtually free-by-cyclic groups among groups that are hyperbolic and virtually compact special. As a consequence, we show that many groups known to be coherent actually possess the stronger property of being virtually free-by-cyclic. In particular, we show that all one-relator groups with torsion are virtually free-by-cyclic, solving a conjecture of Baumslag.
Ein ungewöhnlicher Fall: Fraktur des Hammergriffs durch Fingermanipulation
Authors: Mair Peter M. , Mayr Thomas , Sprinzl Georg , Magele Astrid
Published: July 2024

Die isolierte Hammergrifffraktur ist eine seltene, aber klinisch relevante Verletzung im Mittelohr, die zu einer einseitigen Hörminderung führt. Ursachen können akute Druckveränderungen oder traumatische Ereignisse sein. Verschiedene Therapieansätze wie Tympanoplastik, Transposition von autologem Material oder Applikation von Knochenzement werden diskutiert. In dieser Kasuistik wird eine 46-jährige Patientin mit einseitiger Hörminderung nach Manipulation im Ohr beschrieben. Klinisch zeigen sich eine Achsenfehlstellung des Hammergriffs und eine Schallleitungshörminderung in der Audiometrie. Die Verdachtsdiagnose lautet Unterbrechung der Gehörknöchelchenkette. Im Rahmen einer Tympanoskopie wird die Diagnose isolierte Hammergrifffraktur gestellt. Es wird in weiterer Folge Glasionomerzement zur Rekonstruktion des Hammergriffs verwendet. Postoperativ verbessert sich die Hörfunktion signifikant, mit einer vollständigen Remission der Hörminderung nach vier Monaten. Diese Kasuistik zeigt die Bedeutung einer umfassenden Diagnostik und Erfahrung des Operateurs bei der Auswahl der Therapie.
Wire arc additive manufacturing of a high-strength low-alloy steel part: environmental impacts, costs, and mechanical properties
Authors: Kokare Samruddha , Shen Jiajia , Fonseca Pedro P. , Lopes João G. , Machado Carla M. , Santos Telmo G. , Oliveira João P. , Godina Radu
Published: July 2024

Additive manufacturing (AM) technologies have demonstrated a promising material efficiency potential in comparison to traditional material removal processes. A new directed energy deposition (DED) category AM process called wire arc additive manufacturing (WAAM) is evolving due to its benefits which include faster build rates, capacity to build large volumes, and inexpensive feedstock materials and machine tools compared to more technologically mature powder-based AM technologies. However, WAAM products present challenges like poor surface finish and lower dimensional accuracy compared to powder-based processes or machined parts, prevalence of thermal distortions, residual stresses, and defects like porosity, cracks, and humping, often requiring post-processing operations like finish machining and heat treatment. These post-processing operations add to the production cost and environmental footprint of WAAM-built parts. Therefore, considering the opportunities and challenges presented by WAAM, this paper analyses the environmental impact, production costs, and mechanical properties of WAAM parts and compares them with those achieved by laser powder bed fusion (LPBF) and traditional computer numerical control (CNC) milling. A high-strength low-alloy steel (ER70S) mechanical part with medium complexity was fabricated using WAAM. Based on the data collected during this experiment, environmental impact and cost models were built using life cycle assessment and life cycle costing methodologies. WAAM was observed to be the most environmentally friendly option due to its superior material efficacy than CNC milling and has a better energy efficiency than LPBF. Also, WAAM was the most cost-friendly option when adopted in batch production for batch sizes above 3. The environmental and cost potential of WAAM is amplified when used for manufacturing large products, resulting in significant material, emission, and cost savings. The fabricated WAAM part demonstrated good mechanical properties comparable to that of cast/forged material. The methodology and experimental data presented in this study can be used to calculate environmental impacts and costs for other products and can be helpful to manufacturers in selecting the most ecofriendly and cost-efficient manufacturing process.
Comparing orthogonal calculus and calculus with Reality
Authors: Taggart Niall
Published: July 2024

We show that there exists a suitable $$C_2$$

C
2

-fixed points functor from calculus with Reality to the orthogonal calculus of Weiss which recovers orthogonal calculus “up to a shift” in an analogous way with the recovery of real topological K-theory from Atiyah’s K-theory with Reality via appropriate $$C_2$$

C
2

-fixed points.
Reductive quotients of klt singularities
Authors: Braun Lukas , Greb Daniel , Langlois Kevin , Moraga Joaquín
Published: July 2024

We prove that the quotient of a klt type singularity by a reductive group is of klt type in characteristic 0. In particular, given a klt variety $X$
X
endowed with the action of a reductive group $G$
G
and admitting a quasi-projective good quotient $X\rightarrow X/\!/G$
X
→
X
/
/
G
, we can find a boundary $B$
B
on $X/\!/G$
X
/
/
G
so that the pair $(X/\!/G,B)$
(
X
/
/
G
,
B
)
is klt. This applies for example to GIT-quotients of klt varieties. Our main result has consequences for complex spaces obtained as quotients of Hamiltonian Kähler $G$
G
-manifolds, for collapsings of homogeneous vector bundles as introduced by Kempf, and for good moduli spaces of smooth Artin stacks. In particular, it implies that the good moduli space parametrizing $n$
n
-dimensional K-polystable smooth Fano varieties of volume $v$
v
has klt type singularities. As a corresponding result regarding global geometry, we show that quotients of Mori Dream Spaces with klt Cox rings are Mori Dream Spaces with klt Cox ring. This in turn applies to show that projective GIT-quotients of varieties of Fano type are of Fano type; in particular, projective moduli spaces of semistable quiver representations are of Fano type.
Chimeric lipoproteins for leptospirosis vaccine: immunogenicity and protective potential
Authors: Tapajóz Rafael Carracena de Souza , Santos Francisco Denis Souza , de Oliveira Natasha Rodrigues , Maia Mara Andrade Colares , Seixas Neto Amilton Clair Pinto , Maiocchi Laura de Vargas , Souza Pedro Henrique Filgueiras Coelho , Oliveira Thaís Larré , Dellagostin Odir Antônio
Published: July 2024

Leptospirosis, a neglected zoonotic disease, is caused by pathogenic spirochetes belonging to the genus Leptospira and has one of the highest morbidity and mortality rates worldwide. Vaccination stands out as one of the most effective preventive measures for susceptible populations. Within the outer membrane of Leptospira spp., we find the LIC12287, LIC11711, and LIC13259 lipoproteins. These are of interest due to their surface location and potential immunogenicity. Thorough examination revealed the conservation of these proteins among pathogenic Leptospira spp.; we mapped the distribution of T- and B-cell epitopes along their sequences and assessed the 3D structures of each protein. This information aided in selecting immunodominant regions for the development of a chimeric protein. Through gene synthesis, we successfully constructed a chimeric protein, which was subsequently expressed, purified, and characterized. Hamsters were immunized with the chimeric lipoprotein, formulated with adjuvants aluminum hydroxide, EMULSIGEN®-D, Sigma Adjuvant System®, and Montanide™ ISA206VG. Another group was vaccinated with an inactivated Escherichia coli bacterin expressing the chimeric protein. Following vaccination, hamsters were challenged with a virulent L. interrogans strain. Our evaluation of the humoral immune response revealed the production of IgG antibodies, detectable 28 days after the second dose, in contrast to pre-immune samples and control groups. This demonstrates the potential of the chimeric protein to elicit a robust humoral immune response; however, no protection against challenge was achieved. While this study provides valuable insights into the subject, further research is warranted to identify protective antigens that could be utilized in the development of a leptospirosis vaccine.

Key points

• Several T- and B-cell epitopes were identified in all the three proteins.

• Four different adjuvants were used in vaccine formulations.

• Immunization stimulated significant levels of IgG2/3 in vaccinated animals.
Electrical and mechanical behaviors of rubber composites based on polar elastomers with incorporated Cu-based alloy
Authors: Mahmoud Doaa S. , Nassar Amira , Moustafa A. M. , Ward A. A. , Mohamed Wael S. , El-Sabbagh Salwa H.
Published: July 2024

Dielectric elastomers with conducting inorganic fillers offer a wide range of uses, including capacitive energy storage, elastomer sensors, actuators, and many more. In this approach, low dielectric loss and high dielectric constant may be made possible by ternary composites that use metal alloy components as reinforcing fillers. Here, Cu-based alloy was added to acrylonitrile-butadiene rubber (NBR) to produce ternary rubber composites. Unfortunately, the Cu–Al–Zn alloy’s material incompatibility with the rubber matrix typically leads to phase separation, void formation, and particle aggregation, all of which have a dramatic negative impact on performance. Using 3-(trimethoxysilyl)propyl methacrylate as a coupling agent, Cu–Al–Zn alloy particles were uniformly dispersed onto the NBR rubber matrix through surface modification. By using scanning electron microscopy, the appropriate reinforcement of modified Cu-based alloy particles into NBR was carefully examined. The effect of modified Cu–Al–Zn alloy loading on the swelling behavior of the composite was also investigated. The findings show that the shape and dispersion state of modified Cu–Al–Zn alloy were important for the dielectric characteristics of the NBR compounds. By adding reinforced modified Cu-based alloy to the NBR matrix, mechanical characteristics were significantly improved. The uniform dispersion of modified Cu–Al–Zn alloy particles and strong interfacial compatibility with rubber matrix are the reasons for the outstanding performance of NBR composites, which suggests high-performance dielectric composite.
Risk factors and prediction model for delayed bleeding after cold snare polypectomy: a retrospective study
Authors: Wen Shuting , He Long , Zhao Xiying , Li Yingting , Lin Xiaofeng , Fu Zhaoli , He Wenfang , Liu Tianwen
Published: July 2024

Background

Delayed bleeding (DB) is a serious complication after cold snare polypectomy (CSP) for polyps in the colon. The present study aimed to investigate the incidence and risk factors of DB after CSP and to develop a risk-scoring model for predicting DB.

Methods

A retrospective study was conducted in four Chinese medical institutions. 10650 patients underwent CSP from June 2019 to May 2023. The study analyzed the rate of DB and extracted the general clinical information and polyp-related information of patients with postoperative DB. As a control, non-DB patients who received CSP at the same 4 hospitals were analyzed. A multivariate Cox regression analysis was performed to develop the prediction model. The model was further validated using a Kaplan–Meier log-rank analysis, receiver operating characteristic curve (ROC) plot and risk plot.

Results

In our study, we found a 0.24% rate of DB and the risk factors were history of hypertension, hyperlipidemia, antithrombotics use, antiplatelet use, anticoagulant use, abdominal operation, sigmoid colon lesion, hematoma, cold snare defect protrusion, polyp size, wound size, the grade of wound bleeding, and morphology of Ip. These factors were incorporated into the prediction model for DB after CSP. For 1, 3, and 5 days of bleeding, the AUC of the ROC curve was 0.912, 0.939, and 0.923, respectively. The Kaplan–Meier analysis indicated that the high-risk group had a significantly higher risk of DB than the low-risk group.

Conclusions

This study screened the risk factors and established a prediction model of DB after CSP. The results may help preventing and reducing the DB rate after CSP of colorectal polyps.
Investigation of choroidal structure changes after intravitreal anti-VEGF therapy for retinal vein occlusion
Authors: Dursun Erdem , Derhem Baki , Çobanoğlu Seval , Oğurel Tevfik
Published: July 2024

Background

We aimed to investigate the effect of retinal vein occlusion (RVO) on the posterior segment structures of the eye and its changes with intravitreal anti-Vascular Endothelial Growth Factor (VEGF) treatment.

Methods

This prospective longitudinal study included 29 eyes of 29 patients with RVO (17 males and 12 females) followed for 6 months. The best corrected visual acuity (BCVA), macula, choroid ticknesses and choroidal vascularity index (CVI) obtained by spectral-domain optical coherence tomography were recorded at baseline and the first, third, and sixth months after the first injection. Results were compared with fellow eyes (non-affected eyes) and age- and sex-matched controls.

Results

BCVA increased significantly in the 6th month, more in the first month of injection (p < 0.05 for each). Central macular tickness, subfoveal choroid tickness, stromal and total area of choroid decreased significantly after injection (p < 0.05 for each). CVI values increased significantly, especially in the 1st month after injection (p < 0.05 for each). In eyes with Branch RVO, there was a significant decrease in the macular thickness of the occlusive areas with treatment, while there was no statistically significant change in the non-occlusive macular thickness.

Conclusion

Observation of changes in choroidal structure may be useful to assess the activity of RVO and predict the efficacy of anti-VEGF therapy.
Peridynamic computations of wave propagation and reflection at material interfaces
Authors: Partmann Kai , Dienst Manuel , Weinberg Kerstin
Published: July 2024

Peridynamics describes the material in a non-local form and is very suited for the simulation of dynamic fracture. However, one significant effect regarding dynamic fracture is the correct handling of elastic deformation, like the pressure and tension waves inside a body, due to dynamic boundary conditions like an impact or impulse. Many peridynamic material formulations have been developed with differences in this regard. This study investigates the elastic wave propagation characteristics of bond-based, ordinary state-based, continuum kinematics-inspired peridynamics and a local continuum consistent correspondence formulation. Multiple parameters of a longitudinal pressure wave inside an elastic bar are studied. While all formulations demonstrate adequate wave propagation handling, all except the correspondence formulation are sensitive to incomplete horizons. The local continuum consistent formulation does not suffer from the surface effect and models the wave propagation with perfect accuracy.
Minimal model identification of drum brake squeal via SINDy
Authors: Wulff Paul , Gräbner Nils , von Wagner Utz
Published: July 2024

The industrial standard in the design and development process of NVH(Noise Vibration Harshness) characteristic of brakes is the application of Finite Element(FE) models with a high number of degrees of freedom in the range of one or several millions. Nevertheless, parallel experimental investigations are still indispensable. On the other hand, minimal models with, due to the inclusion of the self-excitation process, at least two degrees of freedom are well known to be capable to explain qualitatively phenomena as instability of the desired non-vibrating solution or limit cycle oscillation but are in general very inaccurate in predicting the dynamics of a specific real brake. This is because the underlying physical assumptions are already too restrictive and model parameters (especially those referring to nonlinearities) are widely unknown. To overcome this problem, the data-driven modeling approach SINDy(Sparse Identification of Nonlinear Dynamics) is applied to identify appropriate nonlinear functions for a brake squeal minimal model. A problem thereby is the limited database. It turns out that the naive implementation of the method yielding the lowest possible residuum does not necessarily provide physically meaningful models and results, respectively. Instead, a constrained model that incorporates physical knowledge is used to robustly identify parameters and reproduce realistic dynamic behavior. Thereby, several appropriate models with coexisting limit cycles and stationary equilibrium are identified. In particular, it was found that the angular position of the brake drum has a significant influence on the model parameters and therefore must be taken into account in a model with long-term validity.
New persistent opioid use following robotic-assisted, laparoscopic and open surgery inguinal hernia repair
Authors: MacQueen Ian T. , Milky Gediwon , Shih I.-Fan , Zheng Feibi , Chen David C.
Published: July 2024

Introduction

Post-operative prescription opioid use is a known risk factor for persistent opioid use. Despite the increased utilization of robotic-assisted surgery (RAS) for inguinal hernia repair (IHR), little is known whether this minimally invasive approach results in less opioid consumption. In this study, we compare long-term opioid use between RAS versus laparoscopic (Lap) versus open surgery for IHR.

Methods

A retrospective cohort study of opioid-naïve patients who underwent outpatient primary IHR was conducted using the Merative™ MarketScan® (Previously IBM MarketScan®) Databases between 2016 and 2020. Patients not continuously enrolled 180 days before/after surgery, who had malignancy, pre-existing chronic pain, opioid dependency, or invalid prescription fill information were excluded. Among patients exposed to opioids peri-operatively, we assessed long-term opioid use as any opioid prescription fill within 90 to 180 days post-surgery. Secondary outcomes were controlled substance schedule II/III opioid fill, and high-dose opioid fill defined as > 50 morphine milligram equivalent per day. An Inverse-probability of treatment weighted logistic regression was used to compare outcomes between groups with p-value of < 0.05 considered statistically significant.

Results

A total of 41,271 patients were identified (2070 (5.0%) RAS, 16,704 (40.5%) Lap, and 22,497 (54.5%) open surgery). RAS was associated with less likelihood of prescription fills for any opioid (OR 0.78, 95% CI 0.60 to 0.98 versus Lap; OR 0.67, 95% CI 0.52 to 0.85 versus open), and schedule II/III opioid (OR 0.74, 95% CI 0.56 to 0.96 versus Lap; OR 0.68, 95% CI 0.51 to 0.88 versus open), but comparable high-dose opioid fill (OR 0.95, 95% CI 0.54 to 1.55 versus Lap; OR 0.96, 95% CI 0.56 to 1.52 versus open). Lap and open surgery had no significant difference.

Conclusion

In this cohort of patients derived from a national commercial claims dataset, patients undergoing RAS had a decreased risk of long-term opioid use compared to laparoscopic and open surgery patients undergoing IHR.
What is the nature and impact of cognitive difficulties following hormonal treatments for prostate cancer?: An interpretative phenomenological analysis
Authors: Pembroke Lorna , Sherman Kerry A. , Dhillon Haryana M. , Francis Heather , Gurney Howard , Gillatt David
Published: July 2024

Objective

Prostate cancer hormonal treatments (e.g. androgen deprivation therapy) yield clinical benefits. However, there is increasing evidence these treatments may adversely impact cognitive functioning. This study aimed to qualitatively characterise the nature and impact of cognitive difficulties following these treatments.

Methods

Prostate cancer survivors (PCS) self-reporting cognitive difficulties following hormonal treatments (via an online survey) and their partners were invited to participate in semi-structured interviews. Telephone or videoconferencing interviews were conducted, then transcribed, double-coded and analysed using the Framework Method, following the principles of Interpretative Phenomenological Analysis.

Results

Eleven participants (six PCS and five partners) were interviewed. PCS reported a range of cognitive difficulties, verified by their partners, including forgetfulness, “fogginess”, fatigue and slowed processing speed. For some PCS, word-finding difficulties, tangential speech and memory problems were apparent during interviews. The aetiology of the reported cognitive difficulties was unclear as it was attributed to a possible combination of cancer treatments, compounding side-effects (e.g. fatigue, sleep problems, hot flashes), exacerbation of pre-existing conditions and/or age-related changes. Cognitive difficulties were reported to have led to shifts in self-perception, interpersonal dynamics and increased emotionality. Engagement in cognitively-stimulating activities and reliance on compensatory strategies were reported to be helpful in managing some cognitive difficulties. All participants endorsed the potential benefits of neuropsychological intervention.

Conclusions

There are a diverse range of cognitive difficulties following hormonal treatments for prostate cancer experienced by PCS and their partners. Understanding the impact of these difficulties is important for the development of targeted neuropsychological interventions.
Enhancing non-intrusive reduced-order models with space-dependent aggregation methods
Authors: Ivagnes Anna , Tonicello Niccolò , Cinnella Paola , Rozza Gianluigi
Published: July 2024

In this manuscript, we combine non-intrusive reduced-order models (ROMs) with space-dependent aggregation techniques to build a mixed-ROM, able to accurately capture the flow dynamics in different physical settings. The flow prediction obtained using the mixed formulation is derived from a convex combination of the predictions of several previously trained reduced-order models (ROMs), with each model assigned a space-dependent weight. The ROMs incorporated in the mixed model utilize different reduction methods, such as proper orthogonal decomposition and autoencoders, and various approximation techniques, including radial basis function interpolation (RBF), Gaussian process regression, and feed-forward artificial neural networks. Each model’s contribution is given higher weights in regions where it performs best and lower weights where its accuracy is lower compared to the other models. Additionally, a random forest regression technique is used to determine the weights for previously unseen conditions. The performance of the aggregated model is assessed through two test cases: the 2D flow past a NACA 4412 airfoil at a 5-degree angle of attack, with the Reynolds number ranging between $$1 \times 10^{5}$$

1
×

10
5

and $$1 \times 10^{6}$$

1
×

10
6

, and a transonic flow over a NACA 0012 airfoil, with the angle of attack as the varying parameter. In both scenarios, the mixed-ROM demonstrated improved accuracy compared to each individual ROM technique, while providing an estimate for the predictive uncertainty.