bluuebunny/crossref_metadata_2025_split huggingface dataset:
C6N7(NH2)3·H3PO4: Strong Second Harmonic Generation and Giant Birefringence Benefiting from Amino Substitution Strategy
Authors: Wei Ruqing , Huang Hongbo , Yang Daqing , Wang Ying , Zhang Bingbing 
Published: August 2024

AbstractWith the advancement of laser technology, searching for new nonlinear optics (NLO) active units is necessary for designing NLO materials with excellent performance. In this study, an amino substitution strategy is proposed to explore new planar π‐conjugated groups as functional building units (FBUs) for NLO and birefringent materials. Accordingly, a new NLO‐active molecule melem C6N7(NH2)3 is identified, which is characterized by significant polarization anisotropies and large hyperpolarizabilities. Subsequently, C6N7(NH2)3·H3PO4 is screened out and successfully synthesized through a simple aqueous method. The compound exhibits a strong second harmonic generation (SHG) response of 8.9 times that of KDP and a large birefringence of 0.609 at 1064 nm. As far as is known, the calculated birefringence of C6N7(NH2)3·H3PO4 is the largest among the organic–inorganic hybrid crystals in which the birefringence originates from π‐conjugated groups. The theoretical computation supports that the amino (─NH2) substitution strategy is effective for designing and synthesis of materials with strong SHG response and large birefringence.
Self‐Powered, Soft and Breathable Human–Machine Interface Based on Piezoelectric Sensors
Authors: Jiang Zhipeng , Zhang Chi , Kwon Sun Hwa , Dong Lin 
Published: August 2024

AbstractWearable electronics revolutionize human–machine interfaces (HMIs) for robotic or prosthetic control. Yet, the challenge lies in eliminating conventional rigid and impermeable electronic components, such as batteries, while considering the comfort and usability of HMIs over prolonged periods. Herein, a self‐powered, flexible, and breathable HMI is developed based on piezoelectric sensors. This interface is designed to accurately monitor subtle changes in body and muscle movements, facilitating effective communication and control of robotic prosthetic hands for various applications. Utilizing engineered porous structures within the polymeric material, the piezoelectric sensor demonstrates a significantly enhanced sensitivity, flexibility, and permeability, highlighting its outstanding HMI applications. Furthermore, the developed control algorithm enables a single sensor to comprehensively control robotic hands. By successfully translating piezoelectric signals generated from bicep muscle movements into Morse Code, this HMI serves as an efficient communication device. Additionally, the process is demonstrated by illustrating the execution of the daily task of “drinking a cup of water” using the developed HMI to enable the control of a human‐interactive robotic prosthetic hand through the detection of bicep muscle movements. Such HMIs pave the way toward self‐powered and comfortable biomimetic systems, making a significant contribution to the future evolution of prosthetics.
State of Charge Estimation of Lithium‐Ion Batteries with Adaptive Square Root Central Difference Kalman Filter
Authors: Du Hongbo , Yuan Yuan , Zheng Wei , Zhu Lijun 
Published: August 2024

AbstractLithium‐ion batteries have been a major energy source in electric vehicles because of their strong adaptability in operating conditions. Accurate estimation of state of charge (SOC) for lithium‐ion batteries can efficiently improve the efficiency of battery energy utilization. However, SOC estimation is complicated in operating conditions with unknown model parameters. This study proposes an adaptive square root central difference Kalman filter (ASRCDKF) algorithm based on the equivalent circuit model to achieve high‐precision estimation of SOC. First of all, to avoid an open‐circuit voltage test, a linear Kalman filter is constructed to realize real‐time estimation of unknown parameters in the measurement equation. Then, to improve the stability of the algorithm, a square root method is used to ensure a positive semi‐definite of the error covariance matrix that is based on the adaptive central difference Kalman filter algorithm. Model parameters are considered as the state to be estimated, and the joint estimation of the model parameters and SOC is realized by an ASRCDKF algorithm. After that, the linear Kalman filter is coupled with the ASRCDKF to realize the accurate estimation of SOC in the case of both the state equation and the measurement equation including unknown parameters. Last, the ASRCDKF algorithm is compared with the adaptive central difference Kalman filter algorithm and the adaptive cubature Kalman filter algorithm under two sets of operating conditions. The results show that the SOC estimation of the ASRCDKF algorithm is more significantly accurate than other algorithms under different operating conditions.
Advanced Design of Organic Ionic Materials for the Boost of Electricity Generation, Storage, and Utilization
Authors: Lu Jian , Fu Hong , Tian Xiaocong , Chen Yuejiao , Xu Bingang 
Published: August 2024

AbstractIt is a great desire of advanced designed materials for electricity generation, storage, and utilization with boosted activity, multifunctionality, compatibility, stability, and durability. Organic ionic materials (OIMs) with superior conductivity, modifiability, and thermal/cold tolerance have great potential in meeting the demand. Ionic liquids, ionic polymers, polyelectrolytes, and new‐emerging composite materials like ionic gels, ionic woods, and metallated covalent organic frameworks have been boomingly developed in recent years, with elaborated design of which, enhanced performance of burgeoning energy materials such as higher electrical output, larger energy capacity, wider tolerance of temperature and/or humidity, and longer durability have been promoted. Despite a few reviews that have generalized the applications of single‐type OIMs in a certain field, there is a lack of comprehensive reviews focusing on advanced design of OIMs for boosting electricity generation, storage, and utilization. Herein, the new development of OIMs is timely and systematically reviewed focusing on electricity generation (generators), storage (batteries and supercapacitors), and utilization (sensors and actuators). Synthesis and modification strategies are summarized for material design, after which, fundamentals and mechanisms are illustrated as theoretical support. Then, advanced designs of OIMs are elaborated by taking electricity generation, storage, and utilization processes into consideration, followed by putting forward perspectives.
Electrochemical macrokinetics analysis of nitrite electrocatalytic reduction to ammonia
Authors: Lv Yang , Teng Wenkai , Li Yang , Ou Honghui , Xie Tao , Yan Xiaoqing , Yang Guidong 
Published: August 2024

AbstractElectrocatalytic nitrite reduction (e‐NO2−RR) offers an attractive strategy for industrial green ammonia synthesis. The understanding of electrochemical kinetics is the core to guarantee the efficient operation of e‐NO2−RR system. However, the application of the widely used Butler–Volmer equation should be restricted to the constraint of non‐mass transfer effects. In this work, an electrochemical macrokinetics equation for mass transfer restriction region was developed based on the traditional macrokinetics thought, which combined the Practical Butler–Volmer equation and Nernst‐Plank equation. The model validation was carried out by the combination of multiphysics‐field simulation, computational fluid dynamics simulation and experiments, and the results show that the average relative error between experiments and simulations is less than 2%. The results in this article contribute to an in‐depth understanding of the kinetics behavior for e‐NO2−RR and achieve the extension of electrochemical kinetics equation from non‐mass transfer restriction region to mass transfer restriction region.
Novel heterozygous OPA3 variant in a family with congenital cataracts, sensorineural hearing loss and neuropathy, without optic atrophy and comparison of pathogenic and population variants
Authors: Penon‐Portmann Monica , Naugle Kendyl , Brodie Frank , Schallhorn Julie , Griggs Paul , So Joyce 
Published: August 2024

AbstractHeterozygous mutations in the OPA3 gene are associated with autosomal dominant optic atrophy‐3 (OPA3), whereas biallelic mutations cause autosomal recessive 3‐methylglutaconic aciduria type III. To date, all cases with pathogenic variants in the gene OPA3 have presented with optic atrophy. We report a large family with congenital cataracts, hearing loss and neuropathy, with a likely pathogenic novel missense variant in OPA3, c.30G>C; p.(Lys10Asn) that segregates with disease in the family pedigree. The family's clinical presentation has significant phenotypic overlap with previously reported cases of OPA3, except for a notable lack of optic atrophy. The analysis of all known disease‐associated variants in OPA3 revealed an enrichment in missense variants in patients with OPA3 phenotype compared with loss‐of‐function variants, which are more likely to be observed in individuals with 3‐methylglutaconic aciduria type III, supporting different mechanisms of disease. This case broadens the clinical and genetic spectrum associated with OPA3 mutations and highlights that optic atrophy is not an obligate feature of OPA3‐related disorders.
Comprehensive exploration of FCHO1 mutations: Clinical manifestations and implications across disorders
Authors: Alomari Omar , Ertan Sinem Nur , Mokresh Muhammed Edib , Yazicilar Elif , Pourali Maryam , Akyokus Fatma Esra , Sager Safiye Gunes , Cag Yakup 
Published: August 2024

AbstractFCH domain only 1 (FCHO1) is a key player in clathrin‐mediated endocytosis, vital for various cellular processes, including immune regulation and cancer progression. However, the clinical implications of FCHO1 mutations, particularly in combined immunodeficiency, remain unclear. This systematic review aims to provide an objective analysis of the molecular genetics, clinical manifestations, and potential therapeutic targets associated with FCHO1 mutations. A systematic search following Preferred Reporting Items for Systematic Reviews and Meta‐Analysis (PRISMA) guidelines was conducted across electronic databases up to March 25, 2024, to identify studies investigating the relationship between FCHO1 and different clinical manifestations. Eligibility criteria were applied to screen studies, and data extraction included study characteristics, reported symptoms, genetic variants, and primary outcomes. In silico analyses were performed to assess protein–protein interactions and gene expression patterns. Five studies were included, offering insights into the molecular genetics, T‐cell deficiency mechanisms, clinical manifestations, and potential therapeutic targets associated with FCHO1 mutations. Molecular analyses identified specific mutations disrupting FCHO1 function, leading to impaired T‐cell proliferation, cytokine production, and susceptibility to infections. Clinically, patients exhibited recurrent infections, lymphopenia, and malignancies, with allogeneic hematopoietic stem cell transplantation emerging as a therapeutic option. In silico analyses revealed potential interactions and co‐expression between FCHO1 and genes involved in cancer progression and immune signaling pathways. This systematic review objectively elucidates the multifaceted role of FCHO1 in immune regulation and disease pathogenesis. Understanding the molecular mechanisms underlying FCHO1 mutations and their impact on disease manifestations is crucial for guiding clinical management and developing targeted therapeutic strategies.
An Aza‐Prilezhaev‐Based Method for Inversion of Regioselectivity in Stereospecific Alkene 1,2‐Aminohydroxylations
Authors: Tu Wenbin , Farndon Joshua J. , Robertson Craig M. , Bower John F. 
Published: August 2024

AbstractUnder acidic conditions (TFA) and in the presence of water, BocNHOTs promotes stereospecific 1,2‐aminohydroxylations of alkenes. The processes involve intermolecular aza‐Prilezhaev aziridination followed by stereospecific SN2 opening by water. This reagent combination provides regiochemical outcomes that are opposite to, or more selective than those observed using epoxidation initiated 1,2‐aminohydroxylation protocols. Replacement of water by other nucleophiles allows 1,2‐amino(thio)etherification, diamination, aminoazidation and aminofluorination reactions. Intramolecular processes are also feasible, including unusual variants that evoke azabicyclobutane‐like reactivity.
Highly Diffusive Nonluminescent Carriers in Hybrid Phase Lead Triiodide Perovskite Nanowires
Authors: Zhao Chunyi , Sun Qi , Xu Peng , Chen Longwen , Shi Rumeng , Meng Lingchen , Liang Yongfu , Yin Yanfeng , Yao Guanxin , Zhang Xianyi , Lu Zhou , Tian Wenming , Jin Shengye 
Published: August 2024

AbstractCrystal structural rearrangements unavoidably introduce defects into materials, where even these small changes in local lattice structure could arouse a prominent impact on the overall nature of crystals. Contrary to the traditional notion that defects obstruct carrier transport, herein, we report a promoted transport mechanism of nonluminescent carriers in single‐crystalline CH3NH3PbI3 nanowires (1345.2 cm2 V−1 s−1, about a 14‐fold improvement), enabled by the phase transition induced defects (PTIDs). Carriers captured by PTIDs evade both the radiative and non‐radiative recombinations during the incomplete tetragonal‐to‐orthorhombic phase transition at low temperatures, forming a specific nonluminescent state that exhibits an efficient long‐distance transport and thereby realize a prominent enhancement of photocurrent responsivity for photodetector applications. The findings provide broader insights into the carrier transport mechanism in perovskite semiconductors and have significant implications for their rational design for photoelectronic applications at varied operating temperatures.
Bio‐Inspired Cu/Pd Bimetallic Catalysts Facilitating One‐Pot Relay Catalysis of Homo‐Couplings of Arylboronic Acids
Authors: Huang Jiayi , Shan Zhihao , Huang Yuling , Zhang Shuyao , Lin Ting , Li Yiqun 
Published: August 2024

ABSTRACTInspired by the multienzymatic relay catalysis in nature, herein, we reported a pioneering bio‐inspired Cu/Pd bimetallic composite microspheres (Cu/CMC@Pd/C) as a simple and efficient relay catalyst for the homo‐coupling of arylboronic acids. In this composite, Pd/C was encapsulated by Cu(II)‐crosslinking carboxymethyl cellulose (Cu/CMC). Cu/CMC@Pd/C microspheres were easily achieved by adding a mixture solution of Pd/C and carboxymethyl cellulose into a Cu(II) solution through an ion exchange reaction between carboxylate groups of CMC and Cu(II) ions. The morphology and composition of the as‐prepared Cu/CMC@Pd/C microspheres were well characterized using various analytical tools such as FT‐IR, XRD, XPS, SEM, TEM, elemental mapping, EDS, and ICP‐AES. The analysis indicated that the composite microspheres have a porous structure and Pd/C is uniformly distributed within the interior of the composite microspheres. The porous structure facilitates mass transfer of the substrate and increases the contact area of the catalyst, thus improving reaction efficiency. The performance of Cu/CMC@Pd/C microspheres was assessed in the homo‐coupling of arylboronic acid for the synthesis of symmetric biaryl without the need for an aryl halide as a partner. This process mimics a multienzyme catalysis through a relay Cu(I)‐catalyzed halogenation of one portion of arylboronic acid and a Pd(0)‐catalyzed Suzuki–Miyaura cross‐coupling between the in situ generated aryl halide and another portion of arylboronic acid. The results showed that this bio‐inspired Cu/CMC@Pd/C has excellent relay catalytic activity with tolerance of broad functional groups, producing the desired symmetrical biaryls in excellent yields within a short reaction time under mild conditions. Moreover, the catalyst can be easily recovered through simple filtration and still has good catalytic activity after six cycles. Consequently, this innovative pseudo‐homogeneous Cu/Pd relay catalyst emerges as a convenient and efficient alternative for the synthesis of asymmetric biaryls.
Polyvinyl alcohol/boron nitride aerogels for radiative cooling
Authors: Xu Yazhou , Zhang Jingna , Wang Jingjing , Zhu Huijie , Zhang Shixun , Pan Yamin , Liu Xianhu , Liu Chuntai , Shen Changyu 
Published: August 2024

AbstractDaytime radiative cooling material provides a low‐energy way of cooling because it can reflect sunlight and radiate heat without consuming any energy. However, there are still great difficulties in manufacturing low‐cost, high‐efficiency, sustainable, and biodegradable daytime radiative cooling materials. In this paper, poly (vinyl alcohol)/boron nitride (PVA/BN) composite aerogels were prepared by freeze‐drying technology. By adjusting the PVA concentration and BN content, the aerogel can achieve high sunlight reflectivity (96%), high mid‐infrared emissivity (96%) and good thermal insulation performance. Therefore, the temperature of the aerogel can be reduced to 12.5°C lower than the ambient temperature at night, and 5.5°C lower than the ambient temperature under the direct sunlight of 900 W/m2. This aerogel opens an environmentally sustainable pathway for radiative cooling applications.
Toward thin GaSb Buffer Layers Grown on On‐Axis (001) Silicon by Molecular Beam Epitaxy
Authors: Gilbert A. , Ramonda M. , Patriarche G. , Tournié E. , Rodriguez J.‐B. 
Published: August 2024

AbstractThe monolithic integration of III‐Vs on Silicon (Si) is of great interest for the development of active photonic integrated circuits (PICs). The main challenge is to achieve a high‐quality epitaxy of the III‐V on the Si substrate, as the differences between the materials are responsible for the formation of crystal defects, in particular threading dislocations (TDs) and antiphase domains (APDs) delineated by antiphase boundaries (APBs), which degrade the device's performance. A new technique is demonstrated to achieve thin APBs‐free GaSb buffer layers grown on Si substrates. The original idea presented in this paper is to introduce a GaAs layer into the buffer to promote faster burial of APDs. Two strategies are compared; the first one involves the complete APDs burying in GaAs before growing GaSb, while the second one uses a thin GaAs layer before burying the APDs in the GaSb layer. APB‐free buffer layers as thin as 215/400 nm have been obtained using the first method, which represents a factor of 2/4 thickness reduction compared to the previous results for both 0.5° and 0.2° miscut angles.
Rapid and Efficient Dual Detection Of Zn2+ Ions and Oxytetracycline Hydrochloride Using a Responsive Fluorescent “On‐Off” Sensor Based on Simple Salen‐Type Schiff Base Ligand
Authors: Nguyen Thi‐Cam‐Thu , Huynh Thi‐Kim‐Chi , Truong Hai Bang , Nguyen Thi‐Hong‐An , Nguyen Hoang‐Phuc , Ton Anh‐Khoa , Nguyen Van‐Thanh , Nguyen Thi‐Hong‐No , Hoang Thi‐Kim‐Dung 
Published: August 2024

AbstractThis research has progressed to an effective detection chemosensor of zinc, aluminum ions and oxytetracycline hydrochloride antibiotic based on the fluorescence technique. A straightforward method utilizing microwave irradiation was employed to synthesize the salen‐type Schiff base ligand N,N′‐bis(salicylaldehyde)4,5‐dichloro‐1,2‐phenylenediamine (H2I), providing a good 70 % yield. In ethanol, the H2I sensor demonstrated remarkable rapidity, selectivity, and sensitivity in detecting zinc ions. The fluorescence spectrum exhibited a 44‐fold substantial enhancement at 522 nm and achieved a low limit of detection (LOD) of 1.47 μM. Furthermore, the H2I probe's emission intensity increased by 124 times when compared to the ligand's ability to detect Al3+ ions at 494 nm with a LOD value of 7.4 μM. Additional research was done using the H2I probe's effective Zn2+ detection capability. The ability to recognize zinc ions in different real water samples demonstrated a recovery rate of 98.67 % to 103.31 %. Interestingly, a naked‐eye visible fluorescence color of H2I solution impregnated filter papers turned colorless into yell ow under UV irradiation by adding Zn2+ ions, renders it suitable for developing a practical zinc ion detection kit test. In particular, the I‐Zn2+ complex effectively quenched the fluorescence toward oxytetracycline hydrochloride (OTC) with a LOD value of 1.49×10−2 μM in DMSO:H2O (6 : 4, v/v). This is a novel and effective procedure for sensing OTC antibiotic by the I‐Zn2+ complex. These findings hold immense potential for the development of dual fluorescent probes, thereby enhancing sensitivity and specificity in identifying metal ions and antibiotics in a wide range of applications.
Thiamine (Vitamin B1) Promoted Organic Transformations: A Recent Updates
Authors: Shaw Ranjay , Prakash Prasoon 
Published: August 2024

AbstractDue to the growing significance of sustainable and environmentally friendly organic transformations, there has been increasing interest in utilizing vitamins as catalysts owing to their green nature, biocompatibility, and ease of preparation. Among these, Vitamin B1, also known as thiamine stands out for its nonflammable, water‐soluble, inexpensive, and non‐toxic characteristics. This review summarized recent developments on the catalytic application of Vitamin B1 in organic transformations, particularly in facilitating C−C and C−X (N, O, S) bond formations, thus demonstrating its efficacy in synthesizing complex molecules. Vitamin B1 exhibits versatility in these reactions, functioning as both an organocatalyst as well as a co‐catalyst or ligand with other metal catalysts. The review also delves into the application of thiamine diphosphate‐dependent enzymes as catalysts in organic reactions, drawing inspiration from natural enzymatic processes. Additionally, the mechanistic intricacies of thiamine‐catalyzed reactions and the roles of co‐catalysts or additives are thoroughly examined, providing insights into reaction pathways and facilitating informed catalyst design strategies.
Synthesis of New Silylated and N−Si−N bridged Urea Derivatives from Aminosilanes and Diisocyanates
Authors: Baumhardt Marlene K. , Schwarzer Sandra , Wagler Jörg , Knerr Steven , Kroke Edwin 
Published: August 2024

AbstractUrea derivatives of the general motifs R1(N(SiMe3)C(O)NR2R3)2 and [R1(NC(O)NR2R3)2SiMe2]n (R1=difunctional organic linker, i. e., core of diisocyanate used; R2,R3= H,nPr; H,Ph; Et,Et) were synthesized by insertion of four different diisocyanates (1,6‐HMDI, 2,4‐TDI, 1,3‐TMXDI and 4,4’‐MDI) into aminotrimethylsilanes Me3SiNR2R3 and diaminodimethylsilanes Me2Si(NR2R3)2. The products obtained were analyzed by NMR and IR spectroscopy. Insertion into aliphatic aminosilanes was found to be favored for primary over secondary amino groups. For insertion into 4,4’‐methylenebis(phenylisocyanate) (4,4’‐MDI), good results were obtained for silanes derived from secondary amines as well. Insertion into aminosilanes with aromatic N‐bound substituents turned out to be kinetically inhibited. Elucidation of molecular structures of the products by crystallography and NMR spectroscopy revealed interesting differences in N−Si connectivity, caused by steric and electronic effects of the reactants and migration of ‐SiMe3 and ‐(SiMe2)‐ moieties.