bluuebunny/crossref_metadata_2025 huggingface dataset:
Flexible All‐Inorganic Thermoelectric Yarns
Authors: Jang Hanhwi , Ahn Junseong , Jeong Yongrok , Ha Ji‐Hwan , Jeong Jun‐Ho , Oh Min‐Wook , Park Inkyu , Jung Yeon Sik
Published: September 2024

Achieving both formability and functionality in thermoelectric materials remains a significant challenge due to their inherent brittleness. Previous approaches, such as polymer infiltration, often compromise thermoelectric efficiency, underscoring the need for flexible, all‐inorganic alternatives. This study demonstrates that the extreme brittleness of thermoelectric bismuth telluride (Bi2Te3) bulk compounds can be overcome by harnessing the nanoscale flexibility of Bi2Te3 nanoribbons and twisting them into a yarn structure. The resulting Bi2Te3 yarn, with a Seebeck coefficient of −126.6 µV K−1, exhibits remarkable deformability, enduring extreme bending curvatures (down to 0.5 mm−1) and tensile strains of ≈5% through over 1000 cycles without significant resistance change. This breakthrough allows the yarn to be seamlessly integrated into various applications—wound around metallic pipes, embedded within life jackets, or woven into garments—demonstrating unprecedented adaptability and durability. Moreover, a simple 4‐pair thermoelectric generator comprising Bi2Te3 yarns and metallic wires generates a maximum output voltage of 67.4 mV, substantiating the effectiveness of thermoelectric yarns in waste heat harvesting. These advances not only challenge the traditional limitations posed by the brittleness of thermoelectric materials but also open new avenues for their application in wearable and structural electronics.
Deep Inverse Design of an Infrared Metasurface Diffuser
Authors: Rozman Natalie , Peng Rixi , Padilla Willie J.
Published: September 2024

Machine learning (ML) algorithms have become invaluable tools for tackling design challenges associated with achieving unique scattering effects in artificial electromagnetic materials (AEMs). However, their effectiveness is reliant on substantial, well‐constructed training datasets. Building such datasets using traditional methods becomes impractical for increasingly complex and large‐scale geometric models. Achieving a specific diffuse scattering is one example and this often requires electrically large and diverse AEM arrays. Unfortunately, while numerical simulations offer high accuracy by utilizing fine meshing, their computational limitations render them incapable of handling such large structures and computing their scattering parameters efficiently. This work proposes a new approach to overcome these limitations by replacing conventional numerical simulations with a hybrid method that combines electromagnetic simulations with an analytical model, enabling the rapid and accurate generation of datasets for electrically large metamaterial arrays. Utilizing this approach, an optimized metasurface geometry for the mid‐infrared range is successfully identified and tested that exhibits desirable diffuse scattering effects. This innovative method paves the way for significantly faster design and optimization of metamaterials, while also unlocking the potential for a new generation of large‐scale, high‐quality ML datasets for AEM problems.
Skyrmion Quasi‐Bound States in the Continuum for 3D Light Trapping in Arbitrarily Large Volumes
Authors: Qin Haoye , Zhang Zhe , Chen Qiaolu , Zhang Zhechen , Fleury Romain
Published: September 2024

Real‐world resonances face surface‐scaling radiation leakage, hindering light confinement in optically large systems. Conventional bound states in continuum (BICs) challenge this by enabling states with theoretically infinite lifetimes in 2D periodic structures. However, when fabricated, the truncation of these systems to finite sizes inevitably re‐introduces leakage, uncontrollably downgrading their quality factors. Here, a novel form of finite‐size 3D quasi‐BICs (QBICs) is demonstrated that leverage a skyrmion field topology of Bloch modes in 3D cubic photonic crystals. The associated finite systems exhibit highly suppressed radiation in all three spatial directions, with a remarkable exponential volume‐scaling of quality factors. With an unprecedentedly large 3D prototype of 24 cm3 and great scalability, the existence of skyrmion QBICs is experimentally proven through unique far‐field polarization wrapping and spectral singularity. These demonstrations enable to have omnidirectional topological radiation suppression, 3D vortex generation, and access to arbitrarily large volume and volumetric interfaces. 3D QBIC may empower extreme 3D light‐trapping, enhanced volumetric sensing, and topological skyrmion emitters.
Enhancing Performance in Top‐Illuminated Shortwave Infrared Organic Photodetectors via Microcavity Resonance
Authors: Chen Ping‐Yen , Suthar Gajendra , Su Yu‐Yang , Hsu Chung‐Wei , Tsai Kuen‐Wei , Tsai Cheng‐En , Chu Chih‐Wei , Chen Fang‐Chung , Chang Yi‐Ming
Published: September 2024

Shortwave infrared (SWIR) image sensors have unique functions in many optical applications, leading to widespread attention in developing next‐generation materials and photodetector technologies. Organic photodetectors (OPDs) are highly promising due to their flexibility in molecular design and processability. However, integrating OPDs with silicon readout integrated circuits (ROICs) poses numerous challenges, often resulting in underestimated device performance and limiting technological progress. To address the requirements of integrating top‐illuminated OPD with ROICs and to enhance the external quantum efficiency (EQE), optical microcavities are introduced into the OPDs. The EQE in the SWIR region can be effectively enhanced by properly adjusting the thicknesses of the photoactive layer (PAL) and interlayers. Simulations of the optical field distribution further support the active functions of the microcavity structure. The spatial variation of the microcavities allows the spectral response to shift from 1000 to 1400 nm, and the optimized device achieves an EQE of 25.8% at 1260 nm. Finally, the OPDs are integrated with a silicon‐based test kit, and the results reveal comparable sensing performance, demonstrating the high potential of microcavity resonance for device integration. This design effectively improves the integration of OPDs with traditional ROICs and advances SWIR‐based organic image sensor technology further toward commercialization.
Enabling Low‐Noise, High‐Detectivity, Stable, and Flexible Perovskite Mesh Nanowire Photodetectors by Phenylethylamine Iodine Doping Strategy
Authors: Wu Dingjun , Tang Yapeng , Ren Bin , Chu Liang , Wang Hao , Zhou Hai
Published: September 2024

The poor stability, high noise, and low detectivity (D*) of perovskite mesh nanowire (PMN) photodetectors (PDs) seriously hinder their practical applications. Here, a phenylethylamine iodine doping strategy (PIDS) is introduced to solve these problems. The PIDS leads to the formation of 2D perovskite PEA2MAx‐1PbxI3x+1 (PEA = phenylethylamine, MA = methylamine) within MAPbI3 PMN, which not only prevents water and oxygen erosion to thwart PMN degradation but also inhibits the transport of dark state carriers to reduce dark current. As a result, the noise, D*, and stability of the PMN PD are simultaneously improved. The device exhibits low noise current (7.61 × 10−15 A Hz−1/2) and high D* of 3.2 × 1014 Jones, the highest D* value for PMN PDs reported to date. Moreover, the unpacked device sustains 100% of its initial performance after 2880 h of storage in the air (45–55% humidity), enabling it as the most stable MAPbI3 perovskite micro/nanostructure PD reported to date. Furthermore, the flexible device with PIDS exhibits comparable performance to that of the rigid device as well as great mechanical stability. Finally, the flexible device with PIDS demonstrates excellent optical imaging capability and a higher precision optical imaging potential than the commercial silicon photodiode S2386.
Impact of Donor and Acceptor Modification on TADF and Roll‐Off Behaviors in Solution Processed OLED
Authors: Yang Hee Tae , Hyeon Ye Ji , Le Thi Na , Lee Ji Eun , Kim Yun‐Hi , Suh Min Chul
Published: September 2024

Up‐conversion of triplet into singlet exciton in the emitting layer is believed to be one of the ways that thermally activated delayed fluorescent (TADF) materials may employ to reduce triplet exciton density hence preventing device quenching by triplet excitons. Yet, two donor‐acceptor type molecules; 5‐(4‐(4,6‐diphenyl‐1,3,5‐triazin‐2‐yl)phenyl)‐12‐(3‐(triphenylsilyl) phenyl)‐5,12‐dihydroindolo[3,2‐a]carbazole (SiPhCzTrz) and 5‐phenyl‐12‐(4‐(4‐phenyl‐6‐(3‐(triphenylsilyl) phenyl)‐1,3,5‐triazin‐2‐yl)pheny‐l)‐5,12‐dihydroindolo [3,2‐a]carbazole (SiTrzPhCz), which exhibited different TADF properties depending on the relative positions of their electron donor unit (PhCz) and electron acceptor unit (Trz), show opposite behaviors. These materials are used as sensitizer in phosphorescent solution‐processed organic light emitting diodes (s‐OLEDs) showing moderately high current efficiencies of 19.3 and 20 cd/A, respectively. SiTrzPhCz exhibits stronger TADF properties compared to SiPhCzTrz; however, these stronger TADF characteristics lead to a more pronounced efficiency roll‐off, mainly due to the longer residence time of excitons in SiTrzPhCz, leading to exciton quenching. In contrast, due to their twisted structures, the efficiency roll‐off is efficiently suppressed, particularly for SiTrzPhCz, when both materials are used as hosts. Their twisted structures promote aggregate‐induced emission and prevent aggregation‐caused quenching. Further analysis of exciton dynamics reveals faster decay rate for both singlet and triplet densities in SiPhCzTrz compared to SiTrzPhCz, indicated by its higher fast prompt emission, kFRET and knrT.
Sn2+/Pb2+ Doping‐Induced Highly Transparent Boroaluminate Microcrystalline Glass With Deep Traps for Long‐Term Optical Storage and Time‐Lapse X‐ray Imaging
Authors: Li Panpan , Song Enhai , Wang Weichao , Zhang Qinyuan
Published: September 2024

The development of microcrystalline glass‐ceramics with high transparency and deep trap energy levels is crucial for the cost‐effective and large‐scale production of scintillators and optical data storage applications. In this study, the incorporation of highly electronegative divalent tin (Sn2+) plays a key role in modulating the network structure of borate glass. This leads to the successful synthesis of SrAl2O4:Eu2+ microcrystalline glass with high transparency, reaching up to 80%, and excellent crystallinity. Additionally, a series of non‐optically active ions with different valence states is co‐doped with Eu2+ to fine‐tune the trap levels of the SrAl2O4 microcrystals. All samples maintain high crystallinity and exhibit good transparency. In particular, the Pb2+ ion co‐doped samples achieve an increased trap energy level of 1.28 eV, significantly enhancing their capacity to capture X‐rays and ultraviolet light. Density functional theory calculations reveal that this enhancement is due to severe lattice distortion caused by Pb2+ ions occupying interstitial sites in SrAl2O4. Utilizing the SrAl2O4:Eu2+, Pb2+ glass‐ceramics materials, X‐ray imaging with a delay of up to 210 s and optical information storage for >60 d is achieved. This study provides valuable insights into the crystal growth and trap modulation of persistent luminescent materials within a three‐dimensional glass network structure.
Tailoring Diversified Peripheral Anchor Groups in Spirofluorene‐Dithiolane‐Based Hole Transporting Materials for Efficient Organic and Perovskite Solar Cells from First‐Principle
Authors: Fatima Rida , Shahzad Nabeel , Fatima Tahreem , Perveen Sonia , Abdelbacki Ashraf M. M. , Wang Kai , Iqbal Javed
Published: September 2024

This quantum mechanical approach recommends push–pull molecular engineering to fabricate hole‐transporting materials (HTMs) for photovoltaic cells. It integrates acceptor moieties via thiophene to fluorene core, resulting in five novel HTMs (SFD‐1 to SFD‐5). The results exhibit that derivative HTMs show excellent coherence in excitation, dispersion, and transportation of charge carriers, ensuring robust hole mobility. The anchor moieties functionalized HTMs unveil excellent band alignment with perovskite with fitting HOMO energy levels (−4.93–−5.35 eV), less optical absorption in visible portion ( < 520). This acceptor integration has improved the hole mobility in derivatives, accredited to the smaller hole reorganization energy (0.14–0.68 eV), and greater hole transfer integral (0.22–0.33 eV). The transition density matrix analysis exhibited robust electronic coupling, subtler charge carrier overlapping and greater charge transfer length (7.48–13.73 Å). This resulted in an excellent upsurge in intrinsic charge transference (70.75–92.70%) and smaller exciton binding energy, leading to easier exciton dissociation, and fewer recombination fatalities. However, an adequate variation in dipole moment (4.04 D to 16.34 D) and Gibbs solvation‐free energy (−18.06 to −21.89 kcal mol−1) ensures facile film formation and processability. In conclusion, this approach recommends these flourene‐based HTMs are highly desireable for forthcoming solar cell technology.
A Fully Edible Transistor Based on a Toothpaste Pigment
Authors: Feltri Elena , Mondelli Pierluigi , Petrović Bojan , Ferrarese Fabrizio Mario , Sharova Alina , Stojanović Goran , Luzio Alessandro , Caironi Mario
Published: September 2024

Edible electronics is emerging in recent years motivated by a diverse number of healthcare applications, where sensors can be safely ingested without the need for any medical supervision. However, the current lack of stable and well‐performing edible semiconductors needs to be addressed to reach technological maturity and allow the surge of a new generation of edible circuits. In the quest for good‐performing edible semiconductors, this study has explored the possibility of considering materials that are not regulated for intentional ingestion, yet are daily swallowed with no adverse reactions, such as pigments contained in toothpaste. This work first elaborates on the basis of inadvertent ingestion data to estimate the quantity of daily ingested Copper(II) Phthalocyanine (CuPc), a whitening pigment and well‐known organic semiconductor. Subsequently, CuPc is employed in the first demonstration of fully edible electrolyte‐gated transistors operating at low voltage (<1 V), displaying good reproducibility and stable performance for over a year. The results indicate that, with the daily ingested quantity of CuPc from toothpaste, more than 104 edible transistors can be realized, thus paving the way to edible circuits, a critical component of future edible electronic systems.
Establishment of a Magnetically Controlled Scalable Nerve Injury Model
Authors: Yang Tuo , Liu Xilin , Cao Rangjuan , Zhou Xiongyao , Li Weizhen , Wu Wenzheng , Yu Wei , Zhang Xianyu , Guo Zhengxiao , Cui Shusen
Published: September 2024

Animal models of peripheral nerve injury (PNI) serve as the fundamental basis for the investigations of nerve injury, regeneration, and neuropathic pain. The injury properties of such models, including the intensity and duration, significantly influence the subsequent pathological changes, pain development, and therapeutic efficacy. However, precise control over the intensity and duration of nerve injury remains challenging within existing animal models, thereby impeding accurate and comparative assessments of relevant cases. Here, a new model that provides quantitative and off‐body controllable injury properties via a magnetically controlled clamp, is presented. The clamp can be implanted onto the rat sciatic nerve and exert varying degrees of compression under the control of an external magnetic field. It is demonstrated that this model can accurately simulate various degrees of pathology of human patients by adjusting the magnetic control and reveal specific pathological changes resulting from intensity heterogeneity that are challenging to detect previously. The controllability and quantifiability of this model may significantly reduce the uncertainty of central response and inter‐experimenter variability, facilitating precise investigations into nerve injury, regeneration, and pain mechanisms.
Crop yield estimation uncertainties at the regional scale for Saxony, Germany
Authors: Goihl Sebastian
Published: September 2024

In times of climate change and global population growth, agricultural yield forecasts play an increasingly important role. For example, predicting yields as early as possible in the event of a drought is crucial for decision‐makers in politics, government, and business. The aim of this study was to provide precise yield predictions at agricultural regions as early as possible with a minimum amount of weather data. Random forest models were used for this purpose. Although more than 290,000 datasets were available for analysis, all models tended to be heavily overfitting, which can be explained by the strong fragmentation of the input data by crop, region, and prediction time. The models reacted very differently to unknown datasets. It was found that the regionally trained models achieved lower (≥10%) relative root mean square errors (RRMSEs) than the supra‐regionally trained models. Rapeseed and barley achieved good predictions. Wheat had good potential, too. Corn, potatoes, and sugar beet achieved often too high RRMSEs. The results showed that targeted model selection for each region and an extension of the training time series could enable very good regional yield forecasts for rapeseed and cereals in the future.
y‐shaped side overlap esophagogastrostomy in proximal gastrectomy
Authors: Kurokawa Yukinori , Saito Takuro , Yamamoto Kazuyoshi , Takahashi Tsuyoshi , Doki Yuichiro
Published: September 2024

Several reconstruction methods are used in proximal gastrectomy. Esophagogastrostomy is the simplest and most physiological. The challenge in esophagogastrostomy is preventing reflux esophagitis. Various techniques have been developed to reduce reflux of gastric juice. Taking advantage of the usefulness of the recently reported modified side overlap with fundoplication by Yamashita (mSOFY) method, we developed a y‐shaped mSOFY method that is simpler and has potential for a greater anti‐reflux effect. Unlike the original mSOFY method, the pseudo‐fornix does not go behind the esophagus and the axes of the esophagus and residual stomach are shifted by approximately 60° to form a “y” shape. In addition, fixation of the residual stomach and both sides of the esophagus and crus of the diaphragm is performed at the end of the procedure. We performed 12 cases of laparoscopic or robotic proximal gastrectomy with y‐shaped mSOFY esophagogastric anastomosis located below the crus of the diaphragm for gastric or esophagogastric junction adenocarcinoma between August 2021 and March 2023. The median operative time and blood loss were 260 min and 5 mL, respectively. No postoperative complications of Clavien–Dindo classification grade II or higher occurred. No stenoses requiring balloon dilation occurred within 1 year after surgery, but endoscopy at 1 year after surgery revealed two cases (17%) of reflux esophagitis of Los Angeles grade B or higher. In conclusion, this y‐shaped side overlap esophagogastrostomy method could be one of the recommended esophagogastrostomy procedures in proximal gastrectomy.
Comparison of prognostic scores according to WHO classification in 170 patients with advanced mastocytosis and C‐finding treated with midostaurin
Authors: Heiblig Maël , Gourguechon Clément , Guilpain Philippe , Bulai‐Livideanu Cristina , Barete Stéphane , Chantran Yannick , Agopian Julie , Brenet Fabienne , Dubreuil Patrice , Lespinasse Jérémie , Lemal Richard , Tournilhac Olivier , Terriou Louis , Launay David , Bouillet Laurence , Chatain Catharina , Damaj Ghandi , Ballul Thomas , Greco Celine , Polivka Laura , Frenzel Laurent , Meni Cécile , Bouktit Hassiba , Benabou Dina , Gaudy‐Marqueste Caroline , Gousseff Marie , Le Mouel Edwige , Neel Antoine , Ranta Dana , Jaussaud Roland , Molina Thierry Jo , Bruneau Julie , Villarese Patrick , Lhermitte Ludovic , Maouche‐Chrétien Leila , Temple Marie , Kosmider Olivier , Javier Rose‐Marie , Pelletier Fabien , Castelain Florence , Retornaz Frederique , Cabrera Quentin , Zunic Patricia , Gourin Marie Pierre , Wierzbicka–Hainaut Ewa , Viallard Jean François , Lavigne Christian , Hoarau Cyrille , Durieu Isabelle , Dimicoli‐Salazar Sophie , Torregrosa‐Diaz Jose Miguel , Wemeau Mathieu , Soria Angèle , Arock Michel , Bodemer Christine , Lortholary Olivier , Hermine Olivier , Rossignol Julien
Published: September 2024

Advanced systemic mastocytosis (AdvSM) encompasses heterogeneous mastocytosis subtypes and is associated with poor outcomes. Although midostaurin was the first tyrosine kinase inhibitor to be approved for AdvSM patients, long‐lasting responses are limited. The mutation‐Adjusted Risk Score (MARS), the International Prognostic Scoring System for mastocytosis (IPSM) and the Global Prognostic Score for Systemic Mastocytosis (GPSM) have been established to characterize the outcomes of patients with overall AdvSM. However, given the outcome's dependency on the AdvSM subtype, prognostic characterization within each subtype is critical. We aimed to study the predictive ability using Harrell's concordance index of prognostic scores according to the AdvSM subtype. We conducted a nationwide retrospective study using the French mastocytosis reference center's registry and included all midostaurin‐treated patients with C finding. Overall, 170 patients were identified: 46 aggressive SM (ASM), 11 mast cell leukemia (MCL), and 113 SM with associated hematological neoplasm (SM‐AHN). All risk scores improved their discriminative value for overall survival (OS) when combined with the AdvSM subtype. The best predictive value was for adjusted MARS (C‐index = 0.689), followed by GPSM (C‐index = 0.677) and IPSM (C‐index = 0.618). In a multivariable analysis, MARS stratification and the AdvSM subtype were both prognostic for OS. Accordingly, five subgroups of patients with AdvSM and a different median OS were identified: 9.9 months for MCL, 24 months for intermediate/high‐risk SM‐AHN, 33 months for intermediate/high‐risk ASM, 58 months for low‐risk SM‐AHN and was not reached for low‐risk ASM (p < 0.001). The AdvSM subtype and the MARS are the most predictive of OS and should prompt specific management.
Clearance of pathogenic erythrocytes is maintained despite spleen dysfunction in children with sickle cell disease
Authors: Sissoko Abdoulaye , Cissé Astan , Duverdier Clémence , Marin Mickaël , Dumas Lucie , Manceau Sandra , Maître Blandine , Eckly Anita , Fricot‐Monsinjon Aurélie , Roussel Camille , Ndour Papa Alioune , Dussiot Michael , Dokmak Safi , Aussilhou Béatrice , Dembinski Jeanne , Sauvanet Alain , Paye François , Lesurtel Mickaël , Cros Jérôme , Wendum Dominique , Tichit Magali , Hardy David , Capito Carmen , Allali Slimane , Buffet Pierre
Published: September 2024

In children with sickle cell disease (SCD), splenectomy is immediately beneficial for acute sequestration crises and hypersplenism (ASSC/HyS) but portends a long‐term risk of asplenia‐related complications. We retrieved peripheral and splenic red blood cells (RBCs) from 17 SCD children/teenagers undergoing partial splenectomy for ASSC/HyS, 12 adult subjects without RBC‐related disease undergoing splenectomy (controls), five human spleens perfused ex vivo with HbSS‐ and HbAA‐RBC, and quantified abnormal RBC by microscopy, spleen‐mimetic RBC filtration, and adhesion assays. Spleens were analyzed by immunohistochemistry and transmission electron microscopy (TEM). In circulating blood of SCD and control subjects, dysmorphic (elongated/spherocytic) RBCs were <2%, while proportions of pocked‐RBC were 4.3‐fold higher in SCD children than in controls. Compared to controls, splenic RBCs were more frequently dysmorphic (29.3% vs. 0.4%), stiffer (42.2% vs. 12.4%), and adherent (206 vs. 22 adherent RBC/area) in SCD subjects. By TEM, both polymer‐containing and homogenous RBC contributed to spleen congestion, resulting in 3.8‐fold higher RBC population density in SCD spleens than in control spleens, predominantly in the cords. Perfused spleens with normal function displayed similar congestion and retention of dysmorphic RBC as SCD spleens. The population density of active macrophages was similar in SCD and control spleens, with a relative deficit in phagocytosis of polymer‐containing RBC. Despite the existence of hyposplenism, splenectomy in SCD children removes an organ that still efficiently filters out potentially pathogenic altered RBC. Innovative treatments allowing fine‐tuned reduction of RBC retention would alleviate spleen congestion, the major pathogenic process in ASSC/HyS, while preserving spleen protective functions for the future.
Craniometric variation and the ancestry of modern humans
Authors: Relethford John H.
Published: September 2024

Objectives

Ancient and contemporary DNA provide information about geographic variation in the ancestry of present‐day humans. All living populations have ancestry from early Homo sapiens originating in sub‐Saharan Africa. Populations of Eurasian descent also have a small amount of Neandertal ancestry. This study examines whether craniometric distances between recent modern human samples reflect this geographic variation in ancestry. Among recent modern humans, Eurasians are expected to be more similar to Neandertals, whereas both sub‐Saharan Africans and Eurasians are expected to be equidistant from early H. sapiens.

Materials and Methods

Data on 33 craniometric traits from 2524 recent modern humans were compared with data from the literature for Neandertals and early H. sapiens. Mahalanobis distances were computed for each modern specimen to both the Neandertal and early H. sapiens means. These distances were examined for differences between recent humans from sub‐Saharan Africa (N = 373) and those of Eurasian descent (N = 2151).

Results

Eurasians as a group are significantly closer than sub‐Saharan Africans to Neandertals. There is no significant difference between the distances of sub‐Saharan Africans and Eurasians to early H. sapiens.

Discussion

The differences between sub‐Saharan Africans and Eurasians for both Neandertals and early H. sapiens are as expected. Although there has been geographic differentiation among recent modern humans, including differences in Neandertal admixture, these differences have not affected overall similarity of recent modern sub‐Saharan Africans and Eurasians to the earliest samples of H. sapiens.
Disentangling social, environmental, and zoonotic transmission pathways of a gastrointestinal protozoan (Blastocystis spp.) in northeast Madagascar
Authors: Barrett Tyler M. , Titcomb Georgia C. , Janko Mark M. , Pender Michelle , Kauffman Kayla , Solis Alma , Randriamoria Maheriniaina Toky , Young Hillary S. , Mucha Peter J. , Moody James , Kramer Randall A. , Soarimalala Voahangy , Nunn Charles L.
Published: September 2024

Objectives

Understanding disease transmission is a fundamental challenge in ecology. We used transmission potential networks to investigate whether a gastrointestinal protozoan (Blastocystis spp.) is spread through social, environmental, and/or zoonotic pathways in rural northeast Madagascar.

Materials and Methods

We obtained survey data, household GPS coordinates, and fecal samples from 804 participants. Surveys inquired about social contacts, agricultural activity, and sociodemographic characteristics. Fecal samples were screened for Blastocystis using DNA metabarcoding. We also tested 133 domesticated animals for Blastocystis. We used network autocorrelation models and permutation tests (network k‐test) to determine whether networks reflecting different transmission pathways predicted infection.

Results

We identified six distinct Blastocystis subtypes among study participants and their domesticated animals. Among the 804 human participants, 74% (n = 598) were positive for at least one Blastocystis subtype. Close proximity to infected households was the most informative predictor of infection with any subtype (model averaged OR [95% CI]: 1.56 [1.33–1.82]), and spending free time with infected participants was not an informative predictor of infection (model averaged OR [95% CI]: 0.95 [0.82–1.10]). No human participant was infected with the same subtype as the domesticated animals they owned.

Discussion

Our findings suggest that Blastocystis is most likely spread through environmental pathways within villages, rather than through social or animal contact. The most likely mechanisms involve fecal contamination of the environment by infected individuals or shared food and water sources. These findings shed new light on human‐pathogen ecology and mechanisms for reducing disease transmission in rural, low‐income settings.
Enhancing Carrier Behavior via Controlled Molecular Film Formation Engineering Leads to Significant Improvement in Electroluminescence
Authors: Zhang Jiasen , Liu Denghui , Li Deli , Sun Kexuan , Li Wei , Meng Yuanyuan , Liu Chang , Wu Yujie , Fang Kaibo , Mu Xilin , Liu Chunyu , Su Shi‐Jian , Ge Ziyi
Published: September 2024

The quality of organic thin films critically influences carrier dynamics in organic semiconductors. In neat/doped films, even tiny voids can be penetrated by water or oxygen molecules to create charge‐trap states called water/oxygen‐induced traps that significantly hinder carrier mobility. While the water/oxygen‐induced traps in non‐doped films and crystalline states have been investigated comprehensively, there is a lack of thorough examination regarding their properties in the doped state. Therefore, there is a high demand for a molecular design strategy that effectively modulates the molecular stacking behavior in doped films and practical devices and enhances the quality of these films. Herein, we proposed a versatile molecular design principle that enables the formation of “nano‐cluster” structures on both the surface and interior of doped films in target molecule 10‐(4‐(4,6‐diphenyl‐1,3,5‐triazin‐2‐yl)phenyl)‐1′‐(4‐fluorophenyl)‐10H‐spiro[acridine‐9,9′‐xanthene] (DspiroO‐F‐TRZ), which is modified with a fluorophenyl group. These “nano‐cluster” structures exhibit more uniform shapes within doped films and effectively reduce defective state densities while enhancing carrier injection and transport properties, ultimately improving device performance. Notably, TADF‐OLED based on DspiroO‐F‐TRZ demonstrates nearly twice as much efficiency as its control counterpart due to contributions from ′nano‐cluster′ structure enhancements toward improved electroluminescence performance.
Electrochemical Nitrate Reduction to Ammonia on AuCu Single‐Atom Alloy Aerogels under Wide Potential Window
Authors: Yu Jidong , Gao Rui‐Ting , Guo Xiaotian , Truong Nguyen Nhat , Wu Limin , Wang Lei
Published: September 2024

Electrocatalytic nitrate reduction to ammonia (NO3RR) is very attractive for nitrate removal and ammonia production in industrial processes. However, the nitrate reduction reaction is characterized by intense hydrogen competition at strong reduction potentials, which greatly limits the Faraday efficiency at strong reduction potentials. Herein, we reported an AuxCu single‐atom alloy aerogels (AuxCu SAAs) with three‐dimensional network structure with significant nitrate reduction performance of Faraday efficiency (FE) higher than 90 % over a wide potential range (0 ~ −1 V RHE). The FE of the catalyst was close to 100 % at a high reduction potential of −0.8 VRHE, accompanying with NH3 yield reaching 6.21 mmol h1 cm2. More importantly, the catalyst maintained a long‐term operation over 400 h at 400 mA cm2 for the NO3RR using a continuous flow system in a H‐cell. Experimental and theoretical analysis demonstrate that the catalyst can lower the energy barrier for the hydrogenation reaction of *NO2, leading to a rapid consumption of the generated *H, facilitate the hydrogenation process of NO3RR, and inhibit the competitive HER at high overpotentials, which efficiently promotes the nitrate reduction reaction, especially in industrial applications.
Artificial Photosynthetic Cell with Molecular Biomimetic Thylakoid
Authors: Zhou Enbo , Yan Shichen , Zhang Xiang , Rehman Baloch Ateeq Ur , Hui Yangdan , Wang Futong , Jiao Lei , Xie Jiafang , Yuan Daqiang , Wang Yaobing
Published: September 2024

The construction of solar‐to‐chemical conversion system by mimicking the photosynthetic network of the chloroplast holds great promise on efficient solar energy utilization. We developed an artificial photosynthetic cell (APC) based on molecular biomimetic thylakoid (CoTPP‐FePy) to split water into hydrogen and oxygen (H2 and O2) at low driving voltage (1.1 V) and neutral condition (pH≈7). The CoTPP‐FePy can emulate the light reaction in thylakoids to produce O2 by coupling light harvesting, photocatalysis, and electron/energy storage (FeIII/FeII−Py). Subsequently, a membrane electrode assembly (MEA) were employed to simulate the dark reaction, wherein the proton, electron and energy generated by the light reaction can drive the H2 producing process. By a temporally and spatially coupling of the light and dark reactions, the resulting APC achieved a solar conversion efficiency of 3.1 %, exceeding that of natural photosynthetic systems and demonstrating the potential of artificial photosynthesis.
Internal jugular vein‐femoral vein diversion during anterior mediastinal mass resection and superior vena cava replacement
Authors: Su L. , Dai J.
Published: September 2024

Surgery which involves anterior mediastinal mass resection with artificial replacement of the superior vena cava results in significant disruption to the circulatory system. In this case, a pathway was established to divert blood from the internal jugular to the femoral vein after clamping of the superior vena cava. Blood which would ordinarily return to the right atrium via the superior vena cava was now being returned via the inferior vena cava. The mean arterial pressure was maintained at least 50 mmHg higher than the central venous pressure during clamping of the superior vena cava to avoid cerebral hypoperfusion. The combined use of the above strategies aimed to provide satisfactory surgical conditions and cerebral protection.
Copper Phthalocyanine for Designing a Highly Selective and Disposable Electrochemical Volatile Organic Compound (VOC) Sensor
Authors: Hossain Mohammad Shakhawat , Roy Nirmita , Biswas Prasanta Kumar , Ram Manoj , Takshi Arash
Published: September 2024

Formic acid (FA) is one of the very important organic acids that has been widely used in various industries. The highly corrosive FA can have severe adverse effects on the surrounding environment. Here, we developed an electrochemical sensor that utilizes the material properties of multi‐walled carbon nanotubes (MWCNTs), and copper phthalocyanine (CuPc) for the real‐time detection of FA gas. The response of FA has been compared with the responses of 9 common volatile organic compounds (VOCs). The chronoamperometry (CA) results revealed a high selectivity towards FA by showing an increase in the sensor current by about 25 %, in contrast to the decrease of the current in response to the other VOCs. The sensitivity of the CuPc device to FA was calculated to be 38.85 mAM−1. Material characterization (SEM, EDX, FTIR, Raman, and UV‐vis) also strongly suggests a protonation mechanism caused by the carboxylic acid group, which enhances the electrical conductivity.
Optimization of solvent system for chitosan/polylactic acid/nanocellulose nanofibers using needleless electrospinning
Authors: Syed Murtaza Haider , Khan Md Maksudur Rahman , Zahari Mior Ahmad Khushairi Mohd , Beg Mohammad Dalour Hossen , Abdullah Norhayati
Published: September 2024

Needless electrospinning (NES) is the most advanced and robust method to generate biopolymeric nanofibers. NES overcomes the needle clogging and low throughput issues of conventional needle based electrospinning (ES). However, the issue with all ES techniques is the absence of generalized methods in the literature, and most of the work is being done empirically. The solvent system dictates the feasibility of the ES process, and solvent system based studies can help create more generalized ES methods. The current work provides a systematic approach to fabricating tribiopolymeric nanofibers. NES was used to fabricate chitosan (CS)/polylactic acid (PLA)/nanocellulose (NCC) based nanofibers by optimizing the solvent system using dichloromethane (DCM) and trifluoroacetic acid (TFA). Biopolymeric blend PLA/CS/NCC (10:0.1:0.05 w/v %) in various formulated solvent systems were made and analyzed for their physical properties (sedimentation rate, particle size, viscosity, and surface tension) and subjected to NES. The binary solvent system SS91 (DCM (90):TFA (10) %) showed the lowest sedimentation rate and viscosity while the highest particle size and surface tension, resulting in the beads free nanofibers. The viscosity and surface tension comparison were used to determine a critical point for the feasibility of nanofiber fabrication. Overall, the study showed a systematic approach for fabricating complex tri‐biopolymeric nanofibers in future.
The HZB F2X‐Facility—An Efficient Crystallographic Fragment Screening Platform
Authors: Barthel Tatjana , Benz Laila , Basler Yara , Crosskey Thomas , Dillmann Alexander , Förster Ronald , Fröling Paula , Dieguez Camilla G. , Gless Christine , Hauß Thomas , Hellmig Michael , Jänisch Lea , James David , Lennartz Frank , Mijatovic Jelena , Oelker Melanie , Scanlan James W. , Weber Gert , Wollenhaupt Jan , Mueller Uwe , Dobbek Holger , Wahl Markus C. , Weiss Manfred S.
Published: September 2024

Crystallographic fragment screening (CFS) has recently matured into an important method for the early stages of drug discovery projects. It is based on high‐throughput structure determination and thus requires a high degree of automation as well as specialized workflows and robust analysis tools. Consequently, large‐scale research facilities such as synchrotrons have embraced the method, and developed platforms to perform CFS campaigns with the help of crystallography experts and specific tools. The BESSY II synchrotron, operated by the Helmholtz–Zentrum Berlin (HZB), is one of these synchrotron facilities that offer a CFS platform, named the F2X‐facility. Here, the specialized F2X workflow is described along with the relevant differences to other existing CFS platforms, and the ongoing developments aimed at supporting users of the facility. The different stages of a CFS campaign including requirements, beamline capabilities, and the software environment are detailed and explained. A unique F2X‐GO kit is featured, which allows users the possibility of performing all sample preparation in their home laboratories. Furthermore, at the HZB a computational workflow has been built to support users beyond the hit identification stage. The advantages of the F2X‐facility at HZB are described and references are provided to successfully conduct CFS.
4‐Halomethyl‐Substituted Imidazolium Salts: A Versatile Platform for the Synthesis of Functionalized NHC Precursors
Authors: Pasyukov Dmitry V. , Shevchenko Maxim A. , Minyaev Mikhail E. , Chernyshev Victor M. , Ananikov Valentine P.
Published: September 2024

N,N′‐Diarylimidazolium salts containing haloalkyl functional groups that are reactive with various nucleophiles are considered to be promising reagents for the preparation of functionalized N‐heterocyclic carbene (NHC) ligands, which are in demand in catalysis, materials science, and biomedical research. Recently, 4‐chloromethyl‐functionalized N,N′‐diarylimidazolium salts became readily available via the condensation of N,N′‐diaryl‐2‐methyl‐1,4‐diaza‐1,3‐butadienes with ethyl orthoformate and Me3SiCl, but these compounds were found to have insufficient reactivity in reactions with many nucleophiles. These chloromethyl salts were studied as precursors in the synthesis of bromo‐ and iodomethyl‐functionalized imidazolium salts by halide anion exchange. The 4‐ICH2‐functionalized products were found to be unstable, whereas a series of novel 4‐bromomethyl functionalized N,N′‐diarylimidazolium salts were obtained in good yields. These bromomethyl‐functionalized imidazolium salts were found to be significantly more reactive towards various N, O and S nucleophiles than the chloromethyl counterparts and enabled the preparation of previously inaccessible heteroatom‐functionalized imidazolium salts, some of which were successfully used as NHC proligands in the preparation of Pd/NHC and Au/NHC complexes.
Stereoselective Electrochemical Synthesis of E‐Tetrasubstituted Haloalkenyl Chalcogenides
Authors: Lopes Eric F. , Costa e Silva Rodrigo , Souza Rafael A. C. , Sebastian Fernandez Pablo , Cezar Pastre Julio
Published: September 2024

Herein, we describe an electrochemical method for the synthesis of haloalkenyl chalcogenides from internal alkynes using hydrobromic and hydrochloric acids as halogenating agents, with the sole byproduct being hydrogen gas. This e‐halochalcogenation protocol generates electrophilic chalcogenium species under mild conditions in a simple, undivided cell setup, enabling the synthesis of 25 examples of chloro‐ and bromovinyl selenides and sulfides with yields ranging from 10 % to 94 %, predominantly as the E‐isomer. The synthetic utility of the halovinyl chalcogenides was demonstrated through various transformations, yielding densely functionalized tetra‐substituted olefins. This underscores the versatility and efficiency of our method in assembling intricate molecular frameworks.
Structural Basis for Antagonist Binding to Vasopressin V1b Receptor Revealed by the Molecular Dynamics Simulations
Authors: Ślusarz Magdalena J.
Published: September 2024

The human V1b receptor (V1bR) is primarily expressed in the corticotropic cells of the anterior pituitary where it is involved in the regulation of the hypothalamic–pituitary–adrenal (HPA) axis. The activation of V1bR induces the secretion of adrenocorticotropin hormone (ACTH) from the anterior pituitary cells which, in turn, stimulates the production of cortisol via the adrenal cortex. Clinical studies have demonstrated the chronic dysfunction of the HPA axis in patients with several psychiatric disorders. Thus, the inhibition of the V1b receptor and normalizing the HPA axis hyperactivity is a promising approach to the treatment of many stress‐related disorders such as anxiety and depression. Nelivaptan is a selective V1bR antagonist that can be used for this purpose and an excellent molecule to study how antagonists interact with V1bR, especially since in recent years the experimental structures of vasopressin V2 and oxytocin receptors were solved, providing high‐similarity templates for homology modeling of V1bR. Therefore, in this work, six independent molecular dynamics simulations of a V1bR‐nelivaptan complex in a fully hydrated lipid bilayer, yielding a total simulation time of 6.0 μs, have been conducted. In the lowest‐energy complexes obtained in this work and proposed to be the most probable structure of the V1bR‐nelivaptan complex, the location of the ligand inside the receptor pocket is very similar to that of the other ligands observed in the experimental structures of the vasopressin/oxytocin receptor family. The receptor‐ligand interaction has been analyzed and described, revealing the details of the molecular mechanism of this antagonist binding to V1bR and a probable contribution of L2005×40 and T2035×43 to binding selectivity.
Acute treatment residual depression symptoms and functional impairment among depressive patients of different age groups and education levels in China: A prospective, multicenter, randomized study
Authors: Zu Si , Wang Dong , Fang Jiexin , Xiao Le , Zhu Xuequan , Wu Wenyuan , Lin Xiufeng , Wang Gang , Hu Yongdong
Published: September 2024

Objective

A prospective, multicenter, randomized study evaluated the efficacy of major depressive disorder (MDD) patients after 2–3 months of acute treatment based on the dual factors of education and age.

Methods

This study classified the included patients into four groups using two classification parameters: age (≤45 years, vs. >45 years) and education years (≤12 vs. >12). We analyzed age, gender, marital status, personal income, depression onset history, medication use, and follow‐up across various groups. We evaluated residual somatic symptoms and social functioning in depression patients was conducted using the 16‐item Quick Inventory of Depressive Symptomatology Self‐report (QIDS‐SR16), the Patient Health Questionnaire‐15 (PHQ15), and the Sheehan Disability Scale (SDS).

Results

In China, 16 hospitals, 553 depression patients, and 428 fulfilled the inclusion criteria. Baseline patient data revealed significant differences among the different age groups in gender, marital status, income, first onset age, physical illness, combination of antipsychotics, and benzodiazepines use (all p < .05). Statistically significant differences were observed in overall comparisons among the four groups, encompassing the QIDS‐SR16 score, PHQ15 score, and various SDS parameters (all p < .05). However, no statistically significant differences (all p > .05) were found in residual somatic symptoms and social functioning parameters between different education levels (≤12 years vs. >12 years) at baseline, 3 months, and 6 months, based on total scores on the scale. Repeated measures mixed model indicates that the QIDS‐SR16 assessment indicates statistical differences among various marital statuses, income levels, medical histories, and antipsychotic medication use (p < .05). Furthermore, PHQ‐15 and SDS assessments reveal statistical differences between single and married/cohabiting statuses, physical comorbidities, 3 and 6 months follow‐ups compared to baseline (p < .05).

Conclusion

This study indicates that compared to depressive patients >45 years old, those ≤45 years old often exhibit more residual depression, somatic symptoms, and severe social functional impairment; patients' education levels less influence this trend.