bluuebunny/crossref_metadata_2025 huggingface dataset:
Hybrid Semiconductor Photocatalyst Nanomaterials for Energy and Environmental Applications: Fundamentals, Designing, and Prospects
Authors: Mishra Kirti , Devi Nishu , Siwal Samarjeet Singh , Gupta Vijai Kumar , Thakur Vijay Kumar
Published: June 2023

The degradation of fossil fuel and worse environmental conditions leads to the emergence of hybrid semiconductor (SC) nanomaterials as photocatalysts. Hybrid SCs have interesting physical, mechanical, optical, chemical, and electronic characteristics. Due to these properties’ absorption of light and transfer of charge takes place frequently and hence act as multifunctional surface. These materials should be attributed to their optical and electrical properties and act as multifunctional surfaces in energy production, fuel generation, environmental remediation, sensing, etc. When SCs combine with noble, non‐noble metal, metal oxide, and some carbon‐based materials, they explore wide applications in various fields. Photocatalysis is an effective and sustainable technology to reduce or fix energy concerns and environmental corrosion problems. By going through the extensive literature review, few topics are focused on designing and working mechanisms of hybrid materials. In this way, the present review article explains the properties, surface‐interface engineering, design, and applications (energy and environmental) of hybrid nanomaterials, emphasizing their photocatalytic nature. Additionally, the appealing directions, scientific challenges, and the reasons behind the poor stability of Hybrid SC photocatalyst nanomaterials for energy and environmental applications are discussed. Finally, the concluding remarks and the current challenges with future prospects in this domain are highlighted.
HER2 Expression in Circulating Tumor Cells as Prognostic and Predictive Biomarkers for Anti‐HER2 Therapy in Previously Treated Metastatic Colorectal Cancer
Authors: Wang Mengting , Xu Ting , Shen Lin , Li Jian , Zhu Ling , Wang Chen , Hu Zhiyuan , Li Ping , Yang Yanlian , Wang Xicheng
Published: June 2023

For human epidermal growth factor receptor 2‐positive metastatic colorectal cancer (HER2+ mCRC), anti‐HER2 therapy shows benefits, while current HER2 testing using tumor biopsy remains controversial. Noninvasive circulating tumor cells (CTCs) may achieve more accurate HER2 diagnosis . Herein, enumeration and HER2 phenotyping on CTCs (HER2(0/1+/2+/3+) CTCs) are assessed using TUMORFISHER for 40 mCRC patients (20 HER2+; 20 HER2‐negative). Positive/negative HER2 phenotypes on CTCs (ctcHER2+/‐) are determined with or without > 5% HER2(2+/3+) CTCs. After anti‐HER2 therapy, HER2+ patients without baseline CTCs show significantly better survivals than those with 1 ≤ CTCs ≤ 51 or ≥ 52 CTCs at baseline (mPFS; 5.6, 4.2, and 2.0 months; p = 0.0021) (mOS; not yet reached, 18.0 and 9.1 months; p = 0.0002). Among HER2+ patients with 1 ≤ CTCs ≤ 51 at baseline, ctcHER2+ has more favorable survivals than ctcHER2– (mPFS; 5.1 and 2.3 months; p = 0.0257) (mOS; not yet reached, 14.7 months; p = 0.0400). HER2+ patients with ≥ 52 CTCs or (with 1 ≤ CTCs ≤ 51 and maintained ctcHER2–) show a higher progression disease rate (60.0%, 0.0%; p = 0.0106). Therefore, CTC enumeration and ctcHER2 phenotyping may be prognostic and predictive biomarkers for HER2+ mCRC with anti‐HER2 therapy.
Numbers Matter: The Role of Cell Dose in the Treatment of Osteosarcoma Using Mesenchymal Stromal Cells as Cellular Vehicles
Authors: Martella Elisa , Dozza Barbara , Ferroni Claudia , Bellotti Chiara , Osuru Obeyok Clement , Tubertini Matilde , Guerrini Andrea , Ballestri Marco , Columbaro Marta , Manet Ilse , Gambarotti Marco , Martini Lucia , Fini Milena , Cevolani Luca , Donati Davide Maria , Lucarelli Enrico , Varchi Greta , Duchi Serena
Published: June 2023

A promising approach enhancing osteosarcoma (OS) prognosis involves the combination of various techniques, such as chemo‐ and photodynamic therapy, delivered through nanocarriers for synergistic cell death. Among the potential candidates for improving drug accumulation at the tumor site, mesenchymal stromal cells (MSCs) exhibit a significant advantage due to their tumor‐homing ability and intracellular drug retention. This study evaluates the efficacy of chemo‐releasing and photoactive bimodal nanoparticles, kPCe6 NPs, delivered via MSCs. In vitro analyses show that cells internalize and retain kPCe6 NPs in a dose‐dependent manner and that kPCe6‐loaded cells induce massive tumor cell death in a tridimensional tumor model. Results from an in vivo orthotopic OS murine model show negligible tumor cell death upon peritumoral administration of two doses containing 106 loaded cells. To gain insight into this observation, this work investigates the role of cell dose in treatment efficacy. The results indicate that achieving a tumor reduction higher than 90% requires a substantial number of loaded cells, approximately 35% of the entire tumor mass, highlighting the criticality of the cell dose for the success of this therapeutic approach and its potential impact on clinical translation in OS patients, particularly when the number of tumor cells is limited.
Weed control and weed biomass influenced first cutting forage accumulation and nutritive value of spring‐seeded alfalfa
Authors: Montgomery Chandra L.‐M. , Kwarteng Albert O. , Adjesiwor Albert T.
Published: June 2023

Weeds can influence the economics of alfalfa (Medicago sativa L.) production by reducing forage yield and nutritive value or by contaminating hay. Field studies were conducted in Idaho in 2021 and 2022 to evaluate the effect of weed control treatments on alfalfa forage accumulation, weed biomass, and nutritive value. In addition, the relationship between the proportion of individual weed species biomass and alfalfa nutritive value was assessed. These studies included eight different herbicide and herbicide combination treatments, including the untreated check. Treatments were comprised of preemergence, early postemergence (after 80% alfalfa emergence), and postemergence (third trifoliate alfalfa) herbicide applications. Data collection included weed control efficacy, weed and alfalfa biomass, and alfalfa nutritive value. Additional samples were collected and combined in these alfalfa to weed biomass proportions (percentage by weight): 0/100, 20/80, 40/60, 60/40, 80/20, and 100/0, for wet chemistry analysis of forage nutritive value to evaluate the relationship between the proportion of individual weed species biomass and alfalfa nutritive value. The acetochlor‐only treatment provided less than 50% weed control, while the EPTC (S‐ethyl‐N,N‐dipropylthiocarbamate)‐only treatment provided 54%–81% weed control. The control provided by acetochlor and EPTC was less than that provided by treatments containing imazamox and imazamox plus bromoxynil. Weed biomass in forage (23%–55% of total biomass) due to poor or no weed control reduced crude protein, increased fiber concentrations, and reduced the relative feed value. The relationship between the proportion of individual weed species biomass and alfalfa nutritive value was linear for all weed species evaluated.
Tenascin‐R Autoimmunity: Isolated Tremor Reversed with Immunotherapy
Authors: Yang Binxia , Brown Andrew , McKeon Andrew , Ahlskog J. Eric , Tipton Philip , Guo Yong , Lucchinetti Claudia , Pittock Sean J. , Zekeridou Anastasia
Published: June 2023

Autoimmune movement disorders are increasingly recognized, but isolated tremor is extremely rare. We describe a 70‐year‐old male with rapidly progressive, severe postural and intention tremor and weight loss. His cerebrospinal fluid was inflammatory and harbored a neural tissue‐restricted antibody. The autoantigen was identified by immunoprecipitation and mass spectrometry and confirmed by antigen‐specific assays to be specific for tenascin‐R. He was investigated for cancer and diagnosed with follicular lymphoma that expressed tenascin‐R suggesting a paraneoplastic origin; cancer treatment and immunotherapy led to complete recovery. With this individualized patient approach and antibody discovery, we expand the spectrum of antibodies accompanying autoimmune hyperkinetic movement disorders. ANN NEUROL 2023;94:502–507
Engaging Early‐Career Scientists in Global Policy‐Making
Authors: John Torsten , Cordova Kyle E. , Jackson Christopher T. , Hernández‐Mondragón Alma C. , Davids Bianca L. , Raheja Lovish , Milić Jovana V. , Borges João
Published: June 2023

Pressing global challenges, such as climate change, the COVID‐19 pandemic, or antibiotic resistance, require coordinated international responses guided by evidence‐informed decisions. For this purpose, it is critical that scientists engage in providing insights during the decision‐making process. However, the mechanisms for the engagement of scientists in policy‐making are complex and vary internationally, which often poses significant challenges to their involvement. Herein, we address some of the mechanisms and barriers for scientists to engage in policy‐making with a global perspective by early‐career scientists. We highlight the importance of scientific academies, societies, universities, and early‐career networks as stakeholders and how they can adapt their structures to actively contribute to shaping global policies, with representative examples from chemistry‐related disciplines. We showcase the importance of raising awareness, providing resources and training, and leading discussions about connecting emerging scientists with global decision‐makers to address societal challenges through policies.
An Experimental and Computational Investigation Rules Out Direct Nucleophilic Addition on the N2 Ligand in Manganese Dinitrogen Complex [Cp(CO)2Mn(N2)]
Authors: Le Dé Quentin , Bouammali Amal , Bijani Christian , Vendier Laure , del Rosal Iker , Valyaev Dmitry A. , Dinoi Chiara , Simonneau Antoine
Published: June 2023

We have re‐examined the reactivity of the manganese dinitrogen complex [Cp(CO)2Mn(N2)] (1, Cp=η5‐cyclopentadienyl, C5H5) with phenylithium (PhLi). By combining experiment and density functional theory (DFT), we have found that, unlike previously reported, the direct nucleophilic attack of the carbanion onto coordinated dinitrogen does not occur. Instead, PhLi reacts with one of the CO ligands to provide an anionic acylcarbonyl dinitrogen metallate [Cp(CO)(N2)MnCOPh]Li (3) that is stable only below −40 °C. Full characterization of 3 (including single crystal X‐ray diffraction) was performed. This complex decomposes quickly above −20 °C with N2 loss to give a phenylate complex [Cp(CO)2MnPh]Li (2). The latter compound was erroneously formulated as an anionic diazenido compound [Cp(CO)2MnN(Ph)=N]Li in earlier reports, ruling out the claimed and so‐far unique behavior of the N2 ligand in 1. DFT calculations were run to explore both the hypothesized and the experimentally verified reactivity of 1 with PhLi and are fully consistent with our results. Direct attack of a nucleophile on metal‐coordinated N2 remains to be demonstrated.
Electrolyte Design for Improving Mechanical Stability of Solid Electrolyte Interphase in Lithium–Sulfur Batteries
Authors: Hou Li‐Peng , Li Yuan , Li Zheng , Zhang Qian‐Kui , Li Bo‐Quan , Bi Chen‐Xi , Chen Zi‐Xian , Su Li‐Ling , Huang Jia‐Qi , Wen Rui , Zhang Xue‐Qiang , Zhang Qiang
Published: June 2023

Practical lithium–sulfur (Li−S) batteries are severely plagued by the instability of solid electrolyte interphase (SEI) formed in routine ether electrolytes. Herein, an electrolyte with 1,3,5‐trioxane (TO) and 1,2‐dimethoxyethane (DME) as co‐solvents is proposed to construct a high‐mechanical‐stability SEI by enriching organic components in Li−S batteries. The high‐mechanical‐stability SEI works compatibly in Li−S batteries. TO with high polymerization capability can preferentially decompose and form organic‐rich SEI, strengthening mechanical stability of SEI, which mitigates crack and regeneration of SEI and reduces the consumption rate of active Li, Li polysulfides, and electrolytes. Meanwhile, DME ensures high specific capacity of S cathodes. Accordingly, the lifespan of Li−S batteries increases from 75 cycles in routine ether electrolyte to 216 cycles in TO‐based electrolyte. Furthermore, a 417 Wh kg−1 Li−S pouch cell undergoes 20 cycles. This work provides an emerging electrolyte design for practical Li−S batteries.
Colossal Anisotropic Thermal Expansion in a Diazo‐Functionalized Compound with Switchable Solid‐State Behavior
Authors: Ding Xiaodan , Unruh Daniel K. , Ma Liulei , van Aalst Evan J. , Reinheimer Eric W. , Wylie Benjamin J. , Hutchins Kristin M.
Published: June 2023

Achieving substantial anisotropic thermal expansion (TE) in solid‐state materials is challenging as most materials undergo volumetric expansion upon heating. Here, we describe colossal, anisotropic TE in crystals of an organic compound functionalized with two azo groups. Interestingly, the material exhibits distinct and switchable TE behaviors within different temperature regions. At high temperature, two‐dimensional, area zero TE and colossal, positive linear TE (α=211 MK−1) are attained due to dynamic motion, while at low temperature, moderate positive TE occurs in all directions. Investigation of the solid‐state motion showed the change in enthalpy and entropy are quite different in the two temperature regions and solid‐state NMR experiments support motion in the solid. Cycling experiments demonstrate that the solid‐state motions and TE behaviors are completely reversible. These results reveal strategies for designing significant anisotropic and switchable behaviors in solid‐state materials.
Water Self‐Dissociation is Insensitive to Nanoscale Environments
Authors: Di Pino Solana , Perez Sirkin Yamila A. , Morzan Uriel N. , Sánchez Verónica M. , Hassanali Ali , Scherlis Damian A.
Published: June 2023

Nanoconfinement effects on water dissociation and reactivity remain controversial, despite their importance to understand the aqueous chemistry at interfaces, pores, or aerosols. The pKw in confined environments has been assessed from experiments and simulations in a few specific cases, leading to dissimilar conclusions. Here, with the use of carefully designed ab initio simulations, we demonstrate that the energetics of bulk water dissociation is conserved intact to unexpectedly small length‐scales, down to aggregates of only a dozen molecules or pores of widths below 2 nm. The reason is that most of the free‐energy involved in water autoionization comes from breaking the O−H covalent bond, which has a comparable barrier in the bulk liquid, in a small droplet of nanometer size, or in a nanopore in the absence of strong interfacial interactions. Thus, dissociation free‐energy profiles in nanoscopic aggregates or in 2D slabs of 1 nm width reproduce the behavior corresponding to the bulk liquid, regardless of whether the corresponding nanophase is delimited by a solid or a gas interface. The present work provides a definite and fundamental description of the mechanism and thermodynamics of water dissociation at different scales with broader implications on reactivity and self‐ionization at the air‐liquid interface.
Electron‐Donors–Acceptors Interaction Enhancing Electrocatalytic Activity of Metal‐Organic Polymers for Oxygen Reduction
Authors: Huang Bingyu , Tang Xiannong , Hong Yaoshuai , Li Longbin , Hu Ting , Yuan Kai , Chen Yiwang
Published: June 2023

Catalysts with metal‐Nx sites have long been considered as effective electrocatalysts for oxygen reduction reaction (ORR), yet the accurate structure‐property correlations of these active sites remain debatable. Report here is a proof‐of‐concept method to construct 1,4,8,11‐tetraaza[14]annulene (TAA)‐based polymer nanocomposites with well‐managed electronic microenvironment via electron‐donors/acceptors interaction of altering electron‐withdrawing β‐site substituents. DFT calculation proves the optimal −Cl substituted catalyst (CoTAA−Cl@GR) tailored the key OH* intermediate interaction with Co−N4 sites under the d‐orbital regulation, hence reaching the top of ORR performance with excellent turnover frequency (0.49 e s−1 site−1). The combination of in situ scanning electrochemical microscopy and variable‐frequency square wave voltammetry techniques contribute the great ORR kinetics of CoTAA−Cl@GR to the relatively high accessible site density (7.71×1019 site g−1) and fast electron outbound propagation mechanism. This work provides theoretical guidance for rational design of high‐performance catalysts for ORR and beyond.
Degradable, Ultraviolet‐Crosslinked Pressure‐Sensitive Adhesives Made from Thioester‐Functional Acrylate Copolymers
Authors: Abu Bakar Rohani , Hepburn Kyle S. , Keddie Joseph L. , Roth Peter J.
Published: June 2023

Pressure‐sensitive adhesives (PSAs) are made from soft, irreversibly lightly crosslinked polymers. Even after removal from surfaces, they retain insoluble networks which pose problems during the recycling of glass and cardboard. Herein, degradable PSAs are presented that provide the required performance in use but have networks that can be degraded after use. A series of copolymers was prepared through radical copolymerization of n‐butyl acrylate, 4‐acryloyloxy benzophenone (ABP) photo‐crosslinker, and dibenzo[c,e]oxepin‐5(7H)‐thione (DOT) to provide degradable backbone thioesters. The optimum tack and peel strengths were found for molar contents of 0.05 mol% ABP and 0.25 mol% DOT. Degradation of the backbone thioesters through aminolysis or thiolysis led to the full dissolution of the networks, loss of adhesive properties of films (decreases in the measured tack and peel strengths), and the quick detachment of model labels from a substrate. Inclusion of DOT into PSAs offers a viable route toward degradable and recyclable packaging labels.
A Smart Deoxyribozyme‐Programmable Catalytic DNA Circuit for High‐Contrast MicroRNA Imaging
Authors: He Yuqiu , Wang Qing , Hong Chen , Li Ruomeng , Shang Jinhua , Yu Shanshan , Liu Xiaoqing , Wang Fuan
Published: June 2023

Synthetic catalytic DNA circuits have been recognized as a promising signal amplification toolbox for sensitive intracellular imaging, yet their selectivity and efficiency are always constrained by uncontrolled off‐site signal leakage and inefficient on‐site circuitry activation. Thus, the endogenously controllable on‐site exposure/activation of DNA circuits is highly desirable for achieving the selective imaging of live cells. Herein, an endogenously activated DNAzyme strategy was facilely integrated with a catalytic DNA circuit for guiding the selective and efficient microRNA imaging in vivo. To prevent the off‐site activation, the circuitry constitute was initially caged without sensing functions, which could be selectively liberated by DNAzyme amplifier to guarantee the high‐contrast microRNA imaging in target cells. This intelligent on‐site modulation strategy can tremendously expand these molecularly engineered circuits in biological systems.
Broad Dual Emission by Codoping Cr3+ (d→d) and Bi3+ (s→p) in Cs2Ag0.6Na0.4InCl6 Double Perovskite
Authors: Saikia Sajid , Ghosh Animesh , Nag Angshuman
Published: June 2023

A phosphor emitting both white light and broad near‐infrared (NIR) radiation can simultaneously provide visual inspection and early signs of rotting of food products. The broad NIR emission is absorbed by the vibrational overtones of water molecules present in food items, providing the non‐invasive image contrast to assess the food freshness. Here we design a phosphor, namely, Cr3+‐Bi3+‐codoped Cs2Ag0.6Na0.4InCl6, that simultaneously emit warm white light and broad NIR (1000 nm) radiation with quantum yield 27 %. This dual emitter is designed by combining the features of s2‐electron (Bi3+) and d3‐electron (Cr3+) doping in a weak crystal field of the halide perovskite host.
excitation of Bi3+, using a commercial 370 nm ultraviolet light‐emitting‐diodes (UV‐LED), yields both the emissions. A fraction of the excited Bi3+ dopants emit the warm white light, and the other fraction transfers its energy non‐radiatively to Cr3+. Then the Cr3+ de‐excites emitting broad NIR emission. Temperature dependent (6.4–300 K) photoluminescence in combination with Tanabe‐Sugano diagram show that the Cr3+ experiences a weak crystal field (
=2.2), yielding the
NIR emission. As a proof of concept, we fabricated a panel containing 122 phosphor‐converted LEDs, demonstrating its capability to inspect food products.
A Fully Conjugated Covalent Organic Framework with Oxidative and Reductive Sites for Photocatalytic Carbon Dioxide Reduction with Water
Authors: Cheng Yuan‐Zhe , Ji Wenyan , Hao Peng‐Yuan , Qi Xue‐Han , Wu Xianxin , Dou Xiao‐Meng , Bian Xin‐Yue , Jiang Di , Li Fa‐Tang , Liu Xin‐Feng , Yang Dong‐Hui , Ding Xuesong , Han Bao‐Hang
Published: June 2023

Constructing a powerful photocatalytic system that can achieve the carbon dioxide (CO2) reduction half‐reaction and the water (H2O) oxidation half‐reaction simultaneously is a very challenging but meaningful task. Herein, a porous material with a crystalline topological network, named viCOF‐bpy‐Re, was rationally synthesized by incorporating rhenium complexes as reductive sites and triazine ring structures as oxidative sites via robust −C=C− bond linkages. The charge‐separation ability of viCOF‐bpy‐Re is promoted by low polarized π‐bridges between rhenium complexes and triazine ring units, and the efficient charge‐separation enables the photogenerated electron–hole pairs, followed by an intramolecular charge‐transfer process, to form photogenerated electrons involved in CO2 reduction and photogenerated holes that participate in H2O oxidation simultaneously. The viCOF‐bpy‐Re shows the highest catalytic photocatalytic carbon monoxide (CO) production rate (190.6 μmol g−1 h−1 with about 100 % selectivity) and oxygen (O2) evolution (90.2 μmol g−1 h−1) among all the porous catalysts in CO2 reduction with H2O as sacrificial agents. Therefore, a powerful photocatalytic system was successfully achieved, and this catalytic system exhibited excellent stability in the catalysis process for 50 hours. The structure–function relationship was confirmed by femtosecond transient absorption spectroscopy and density functional theory calculations.
Constructing Oxygen Vacancies via Engineering Heterostructured Fe3C/Fe3O4 Catalysts for Electrochemical Ammonia Synthesis
Authors: Yang Xiaoxuan , Tian Yu , Mukherjee Shreya , Li Ke , Chen Xinyu , Lv Jiaqi , Liang Song , Yan Li‐Kai , Wu Gang , Zang Hong‐Ying
Published: June 2023

Electrocatalytic nitrogen reduction reaction (NRR) under ambient conditions provides an intriguing pathway to convert N2 into NH3. However, significant kinetic barriers of the NRR at low temperatures in desirable aqueous electrolytes remain a grand challenge due to the inert N≡N bond of the N2 molecule. Herein, we propose a unique strategy for in situ oxygen vacancy construction to address the significant trade‐off between N2 adsorption and NH3 desorption by building a hollow shell structured Fe3C/Fe3O4 heterojunction coated with carbon frameworks (Fe3C/Fe3O4@C). In the heterostructure, the Fe3C triggers the oxygen vacancies of the Fe3O4 component, which are likely active sites for the NRR. The design could optimize the adsorption strength of the N2 and NxHy intermediates, thus boosting the catalytic activity for the NRR. This work highlights the significance of the interaction between defect and interface engineering for regulating electrocatalytic properties of heterostructured catalysts for the challenging NRR. It could motivate an in‐depth exploration to advance N2 reduction to ammonia.
Ruthenium‐Catalyzed Activation of Nonpolar C−C Bonds via π‐Coordination‐Enabled Aromatization
Authors: Xu Lun , Shi Hang
Published: June 2023

Activation of C−C bonds allows editing of molecular skeletons, but methods for selective activation of nonpolar C−C bonds in the absence of a chelation effect or a driving force derived from opening of a strained ring are scarce. Herein, we report a method for ruthenium‐catalyzed activation of nonpolar C−C bonds of pro‐aromatic compounds by means of π‐coordination‐enabled aromatization. This method was effective for cleavage of C−C(alkyl) and C−C(aryl) bonds and for ring‐opening of spirocyclic compounds, providing an array of benzene‐ring‐containing products. The isolation of a methyl ruthenium complex intermediate supports a mechanism involving ruthenium‐mediated C−C bond cleavage.
Broad Dual Emission by Codoping Cr3+(d→d) and Bi3+(s→p) in Cs2Ag0.6Na0.4InCl6Double Perovskite
Authors: Saikia Sajid , Ghosh Animesh , Nag Angshuman
Published: June 2023

A phosphor emitting both white light and broad near‐infrared (NIR) radiation can simultaneously provide visual inspection and early signs of rotting of food products. The broad NIR emission is absorbed by the vibrational overtones of water molecules present in food items, providing the non‐invasive image contrast to assess the food freshness. Here we design a phosphor, namely, Cr3+‐Bi3+‐codoped Cs2Ag0.6Na0.4InCl6, that simultaneously emit warm white light and broad NIR (1000 nm) radiation with quantum yield 27 %. This dual emitter is designed by combining the features ofs2‐electron (Bi3+) andd3‐electron (Cr3+) doping in a weak crystal field of the halide perovskite host.excitation of Bi3+, using a commercial 370 nm ultraviolet light‐emitting‐diodes (UV‐LED), yields both the emissions. A fraction of the excited Bi3+dopants emit the warm white light, and the other fraction transfers its energy non‐radiatively to Cr3+. Then the Cr3+de‐excites emitting broad NIR emission. Temperature dependent (6.4–300 K) photoluminescence in combination with Tanabe‐Sugano diagram show that the Cr3+experiences a weak crystal field (=2.2), yielding theNIR emission. As a proof of concept, we fabricated a panel containing 122 phosphor‐converted LEDs, demonstrating its capability to inspect food products.
Pyridine‐derived Schiff base copper (II), zinc (II), and cadmium (II) complexes: Synthesis, structural properties, biological evaluation, and docking studies
Authors: Nayab Saira , Faisal Shah , Khan Waliullah , Ateeq Muhammad , Khan Sher Wali , Kim Eunhee , Lee Hyosun
Published: June 2023

Herein, Cu (II), Zn (II), and Cd (II) complexes, [DEP(M)X2], encompassing the pyridine‐derived Schiff‐base ligand DEP, where DEP is (E)‐N,N‐diethyl‐2‐([pyridine‐2‐ylmethylene]amino)ethane‐1‐amine, are synthesized. X‐ray diffraction studies reveal distorted square pyramidal geometries for the Cd (II) and Cu (II) complexes, whereas the geometry of [DEP (Zn)Cl2] can best be described as trigonal bipyramidal. The antibacterial potential of DEP and its [DEP(M)X2] complexes were evaluated against four bacterial strains: Salmonella typhi, Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa; five fungal strains: Candida glabrata, Candida albicans, Microsporum canis, Fusarium solani, and Aspergillus flavus; and Leishmania major protozoan. Complexes exhibited superior bactericidal, fungicidal, and leishmanicidal inhibition potential against all tested microbes compared with the free ligand. The preliminary cytotoxic activity of [DEP(M)X2] complexes on breast and colon carcinoma cells, that is, MCF‐7cell line and HCT‐116 cell line, respectively, revealed that studied complexes showed high cytotoxicity compared with ligand (DEP). Among the studied complexes, [DEP (Cd)Br2] exhibited an excellent inhibitory profile, as confirmed by the docking study. The molecular docking studies showed a good correlation between the biological activities of synthesized metal complexes and docking studies. We have confidence in the contribution of these complexes toward the design of new metal‐derived candidates that can treat infectious diseases.
Synthesis and biological profile of benzoxazolone derivatives
Authors: Prasher Parteek , Mall Tanisqa , Sharma Mousmee
Published: June 2023

The benzoxazolone nucleus is an ideal scaffold for drug design, owing to its discrete physicochemical profile, bioisosteric preference over pharmacokinetically weaker moieties, weakly acidic behavior, presence of both lipophilic and hydrophilic fragments on a single framework, and a wider choice of chemical modification on the benzene and oxazolone rings. These properties apparently influence the interactions of benzoxazolone‐based derivatives with their respective biological targets. Hence, the benzoxazolone ring is implicated in the synthesis and development of pharmaceuticals with a diverse biological profile ranging from anticancer, analgesics, insecticides, anti‐inflammatory, and neuroprotective agents. This has further led to the commercialization of several benzoxazolone‐based molecules and a few others under clinical trials. Nevertheless, the SAR exploration of benzoxazolone derivatives for the identification of potential “hits” followed by the screening of “leads” provides a plethora of opportunities for further exploration of the pharmacological profile of the benzoxazolone nucleus. In this review, we aim to present the biological profile of different derivatives based on the benzoxazolone framework.
A Potential Polycarbonyl Polyimide as Anode Material for Lithium‐Ion Batteries
Authors: Zhang Shengnan , Zhu Kai , Gao Yinyi , Bao Tianzeng , Wu Hongbin , Cao Dianxue
Published: June 2023

Organic polymers have been considered reliable candidates for lithium storage due to their high capacity and lack of volume expansion. Compared with other organic polymers, polyimide has become a very promising electrode material for lithium‐ion batteries (LIBs) because of its easy synthesis, customizable structure and structural stability. A large number of studies have confirmed that the benzene ring structure of polyimide has strong lithium storage capacity as an anode material. Hence, we designed and synthesized polyimide organic polymer (PBPAQ) for the first time. The unique spherical flower structure of this material enhances the interaction between the electrode material and the electrolyte by increasing the contact area. The PBPAQ anode has a specific discharge capacity of 738 mAh g−1 after 100 cycles at 0.1 A g−1. The excellent lithium storage performance of this material laid a foundation for the research of the anode of LIBs in the future.
Regulating and Predicting the Polyhedral Crystal Morphology in Spirofluorene Molecular Systems
Authors: Jin Ling‐Zhi , Tang Yan‐Wei , Wang Yu‐Cong , Yu Xiang , Ye Qiu‐Ting , Wan Zi‐Qian , Lin Dong‐Qing , Kan Yu‐He , Zhu Qin , Wang Sha‐Sha , Xie Ling‐Hai , Huang Wei
Published: June 2023

Crystallization of organic steric molecules often leads to multiple polyhedral crystal morphologies. However, the relationships among the molecular structure, supramolecular interaction, aggregation mode and crystal morphology are still unclear. In this work, we elaborate two model crystals formed by spiro[fluorene‐9,9′‐xanthene] (SFX) and spiro[cyclopenta[1,2‐b : 5,4‐b′]dipyridine‐5,9′‐xanthene] (SDAFX) to demonstrate the feasibility of morphology prediction by periodic bond chain (PBC) theory based on interaction energy (IE) values in terms of single point energy. With non‐directional van der Waals forces, only one PBC direction is found in SFX crystal, leading to the irregular 1D rod‐like structure. Compared with SFX, the extra N heteroatoms in SDAFX can bring additional hydrogen bonds and some other interactions into the bulky molecular skeletons, inducing 3‐dimensionally oriented PBCs to form the explicit F‐face network in SDAFX which leads to the final octahedral structure. A simple and accurate method has been provided to quantify PBC vector on the supramolecular level in the organic molecular system, and the PBC theory has also been further demonstrated and developed in the morphology prediction of organic spiro‐molecules.
Demystifying the roles of organisational smart technology, artificial intelligence, robotics and algorithms capability: A strategy for green human resource management and environmental sustainability
Authors: Ogbeibu Samuel , Emelifeonwu Jude , Pereira Vijay , Oseghale Raphael , Gaskin James , Sivarajah Uthayasankar , Gunasekaran Angappa
Published: June 2023

With growing climate change concerns, and constant advancements in smart technology, artificial intelligence, robotics, and algorithms (STARA), organisations in emerging economies are becoming more compelled to go green, develop and deploy their STARA capability to boost profits more effectively, and their environmental sustainability (ES). Likewise, with governments increasingly calling for ES, organisations' human resource management (HRM) is further pressured to ensure their programmes aid realisation of environmental objectives without compromising profit maximisation. However, it remains unclear how complementary Green HRM (GHRM) programmes can be supported by organisational STARA capability (OSC) to bolster ES. Accordingly, we investigate how OSC and GHRM programmes predict ES through a time lagged survey design with data from 461 managers of 177 manufacturing organisations in Nigeria. Results indicate that OSC positively predicts all GHRM programmes and ES but dampens the positive relationship between green training, involvement and development (GTID), and ES. Apart from green performance and compensation (GPC), which is a negative predictor, other GHRM programmes positively predict ES. While green recruitment and selection (GRS) and GTID are complementary mediators, GPC plays a competitive mediating role. Policy implications are subsequently discussed.
Common fibular nerve palsy due to the Fabella: A review
Authors: Woliński Filip , Bryliński Łukasz , Kostelecka Katarzyna , Teresiński Grzegorz , Buszewicz Grzegorz , Baj Jacek
Published: June 2023

One of the most common nerve palsies – common fibular nerve palsy – can be caused by the variant small sesamoid bone in the posterolateral compartment of the knee joint known as the fabella. We compared and reviewed all reported cases of common fibular nerve palsy due to fabellae in the English literature. Compression can develop spontaneously or post‐surgically (total knee arthroplasty). Symptoms progress rapidly to complete foot drop. Among all the cases reviewed, 68.42% were males with a median age of 39.39 years. Fabella compression was more common in the left common fibular nerve (CFN) (63.16%). Both big (23 × 20 × 16 mm) and small (5 × 5 mm) fabellae can be responsible for compression. While diagnosis can be problematic, the treatment (either surgical fabellectomy or conservative) is relatively easy and brings quick improvement.
FSTL1 promotes alveolar epithelial cell aging and worsens pulmonary fibrosis by affecting SENP1‐mediated DeSUMOylation
Authors: Sun Wei , Yang Xiaoyu , Chen Lijuan , Guo Lu , Huang Hui , Liu Xiaoshu , Yang Yang , Xu Zuojun
Published: June 2023

Alveolar epithelial cell (AEC) senescence‐induced changes of lung mesenchymal cells are key to starting the progress of pulmonary fibrosis. Follistatin‐like 1 (FSTL1) plays a central regulatory role in the complex process of senescence and pulmonary fibrosis by enhancing transforming growth factor‐β1 (TGF‐β1) signal pathway activity. Activation of Smad4 and Ras relies on SUMO‐specific peptidase 1 (SENP1)‐mediated deSUMOylation during TGF‐β signaling pathway activation. We hypothesized that SENP1‐mediated deSUMOylation may be a potential therapeutic target by modulating FSTL1‐regulated cellular senescence in pulmonary fibrosis. In verifying this hypothesis, we found that FSTL1 expression was upregulated in the lung tissues of patients with idiopathic pulmonary fibrosis and that SENP1 was overexpressed in senescent AECs. TGF‐β1‐induced FSTL1 not only promoted AEC senescence but also upregulated SENP1 expression. Interfering with SENP1 expression inhibited FSTL1‐dependent promotion of AEC senescence and improved pulmonary fibrosis in mouse lungs. FSTL1 enhancement of TGF‐β1 signaling pathway activation was dependent on SENP1 in senescent AEC. Our work identifies a novel mechanism by which FSTL1 is involved in AEC senescence. Inhibition of SENP1 in epithelial cells alleviated pulmonary fibrosis by blocking FSTL1‐enhanced TGF signaling.
Relationship between CDX2 rs11568820 and EcoRV rs4516035 polymorphisms on the vitamin D receptor gene with susceptibility to different SARS‐CoV‐2 variants
Authors: Al‐Mohammedawi Abed K. K. , Anvari Enayat , Fateh Abolfazl
Published: June 2023

Several studies have revealed that vitamin D deficiency is linked to an increased risk of developing coronavirus disease 19 (COVID‐19). In individuals with the severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) infections, vitamin D receptor activation is required to decrease acute respiratory distress syndrome. The purpose of this study was to examine the genotypic distribution and allelic frequencies of CDX2 rs11568820 and EcoRV rs4516035 polymorphisms in COVID‐19 patients with various SARS‐CoV‐2 variants. For genotyping of CDX2 rs11568820 and EcoRV rs4516035 polymorphisms, we used the polymerase chain reaction‐restriction fragment length polymorphism technique in 1734 and 1450 recovered and deceased patients, respectively. The results indicated the rate of COVID‐19 mortality was associated with CDX2 rs11568820 AA and GA genotypes in the Delta variant and with CDX2 rs11568820 AA in the Omicron BA.5 variant, while no association was shown in the Alpha variant. Therefore, the rate of COVID‐19 mortality was associated with EcoRV rs4516035 TC and CC genotypes in the Delta variant, while no association was shown in the Alpha and Omicron BA.5 variants. According to our analysis, the T‐G haplotype was more common in all SARS‐CoV‐2 variants. The C‐A haplotype was associated with COVID‐19 mortality in the Delta and Omicron BA.5 variants, and the T‐A haplotype was related to the Alpha variant. In conclusion, the genotype frequencies of the CDX2 rs11568820 and EcoRV rs4516035 polymorphisms between SARS‐CoV‐2 variants were significantly different between the deceased patients and recovered patients. However, more studies should be done to confirm the results.
Maximizing winter wheat yield through planting date and seeding rate management
Authors: Copeland J. Patrick , Pennington Dennis , Singh Maninder P.
Published: June 2023

Planting date and seeding rate are two of the most basic and important factors in determining yield potential in winter wheat (Triticum aestivum L.) due to their impact on stand establishment. Timely planting of winter wheat (within a few days after the Hessian fly free date) ensures sufficient time for fall growth and tillering, which are critical for maximizing yield, while adequate seeding rate is necessary to optimize the number of heads per unit area. Field experiments were conducted in Mason, MI during three growing seasons (2020–2022) utilizing five planting dates, ranging from mid‐September to mid‐November, and five seeding rates ranging from 0.8 to 2.4 million seeds acre−1. There was no interaction between planting date and seeding rate in determining yield. Yields declined by 22–48% from the earliest to the latest planting dates in response to a 33–47% reduction in the number of heads acre−1. Seeding rate did not significantly impact yield except at low seeding rates under delayed planting. Maximum yield was achieved with a seeding rate of 0.93, 1.37, 1.47, 1.54, and 1.85 million seeds acre−1 during the mid‐September, late September, mid‐October, late October, and mid‐November plantings, respectively. Overall, results demonstrated that timely planting of wheat is critical for maximizing yield, with significant yield reductions occurring when planting is delayed, regardless of the seeding rate used. Furthermore, while low seeding rates may be used within the optimal planting window without yield penalty, seeding rates should be progressively increased as planting is delayed to diminish yield loss.
Organoselenium Compounds: Chemistry and Applications in Organic Synthesis
Authors: Sonego Juan M. , de Diego Sheila I. , Szajnman Sergio H. , Gallo‐Rodriguez Carola , Rodriguez Juan B.
Published: June 2023

Selenium, originally described as a toxin, turns out to be a crucial trace element for life that appears as selenocysteine and its dimer, selenocystine. From the point of view of drug developments, selenium‐containing drugs are isosteres of sulfur and oxygen with the advantage that the presence of the selenium atom confers antioxidant properties and high lipophilicity, which would increase cell membrane permeation leading to better oral bioavailability. In this article, we have focused on the relevant features of the selenium atom, above all, the corresponding synthetic approaches to access a variety of organoselenium molecules along with the proposed reaction mechanisms. The preparation and biological properties of selenosugars, including selenoglycosides, selenonucleosides, selenopeptides, and other selenium‐containing compounds will be treated. We have attempted to condense the most important aspects and interesting examples of the chemistry of selenium into a single article.
Synthesis and Biological Activity of 2‐Benzo[b]thienyl and 2‐Bithienyl Amidino‐Substituted Benzothiazole and Benzimidazole Derivatives
Authors: Racané Livio , Zlatić Katarina , Cindrić Maja , Mehić Emina , Karminski‐Zamola Grace , Taylor Martin C. , Kelly John M. , Malić Silvana Raić , Stojković Marijana Radić , Kralj Marijeta , Hranjec Marijana
Published: June 2023

Novel benzo[b]thienyl‐ and 2,2′‐bithienyl‐derived benzothiazoles and benzimidazoles were synthesized to study their antiproliferative and antitrypanosomal activities in vitro. Specifically, we assessed the impact that amidine group substitutions and the type of thiophene backbone have on biological activity. In general, the benzothiazole derivatives were more active than their benzimidazole analogs as both antiproliferative and antitrypanosomal agents. The 2,2′‐bithienyl‐substituted benzothiazoles with unsubstituted and 2‐imidazolinyl amidine showed the most potent antitrypanosomal activity, and the greatest selectivity was observed for the benzimidazole derivatives bearing isopropyl, unsubstituted and 2‐imidazolinyl amidine. The 2,2′‐bithiophene derivatives showed most selective antiproliferative activity. Whereas the all 2,2′‐bithienyl‐substituted benzothiazoles were selectively active against lung carcinoma, the benzimidazoles were selective against cervical carcinoma cells. The compounds with an unsubstituted amidine group also produced strong antiproliferative effects. The more pronounced antiproliferative activity of the benzothiazole derivatives was attributed to different cytotoxicity mechanisms. Cell cycle analysis, and DNA binding experiments provide evidence that the benzimidazoles target DNA, whereas the benzothiazoles have a different cellular target because they are localized in the cytoplasm and do not interact with DNA.
Giant component for the supercritical level‐set percolation of the Gaussian free field on regular expander graphs
Authors: Černý Jiří
Published: June 2023

We consider the zero‐average Gaussian free field on a certain class of finite d‐regular graphs for fixed . This class includes d‐regular expanders of large girth and typical realisations of random d‐regular graphs. We show that the level set of the zero‐average Gaussian free field above level h has a giant component in the whole supercritical phase, that is for all , with probability tending to one as the size of the graphs tends to infinity. In addition, we show that this component is unique. This significantly improves the result of [4], where it was shown that a linear fraction of vertices is in mesoscopic components if , and together with the description of the subcritical phase from [4] establishes a fully‐fledged percolation phase transition for the model.
Experimental and Theoretical Studies of the HeICl Van der Waals Complexes in the Valence and Ion‐pair States
Authors: Lukashov Sergei S. , Martynov Ivan I. , Poretsky Sergey A. , Pravilov Anatoly M. , Sivokhina Mariia M.
Published: June 2023

The article presents results of experimental and theoretical analysis of the T‐shaped and linear HeICl van der Waals complexes in the valence A1 and ion‐pair β1 states as well as the HeICl(A1,vA,nA←X0+,vX=0,nx and β1,vβ,nβ←A1,vA,nA) optical transitions (ni are quantum numbers of the vdW) modes). The HeICl(β1,vβ,nβ)→He+ICl(E0+,
, β1) decay are also studied. Luminescence spectra of the HeICl(β1,vβ=0–3,nβ) complex electronic (ICl(E0+,vE,
) and vibrational ICl(β1,vβ) predissociation products are measured, and branching ratios of decay channels are determined. To construct potential energy surfaces for the HeICl(A1, β1) states, we utilized the intermolecular diatomic‐in‐molecule perturbation theory first order method. Experimental and calculated spectroscopic characteristics of the A1 and β1 states agree well. Comparison of the experimental and calculated pump‐probe, action and excitation spectra shows that the calculated spectra describe the experimental spectra adequately.
Machine Learning Guided Cobalt‐doping Strategy for Solid‐state NASICON Electrolytes
Authors: Zhou Pengfei , Zhao Zirui , Sun Kaitong , Zhao Qian , Xiao Fangyuan , Fu Ying , Li Hai‐Feng
Published: June 2023

The solid‐state battery (SSB) is a promising direction to address the inherent safety problems in commercial batteries and energy storage systems. However, the development of SSBs is still hider of the low ionic conductivity of solid‐state electrolytes. Based on a machine learning (ML) method, a cobalt‐doping strategy was developed for the Na3.2Zr2Si2.2P0.8O12 (NASICON) compound by training on NASICON‐type solid electrolyte data. The cobalt‐doping strategy efficiently improves the NASICONs’ ionic conductivity to ~2.63 mS/cm with low activation energy at ~0.245 eV. The grain‐boundary ionic conductivity reaches ~11.00 mS/cm without extra densification of the pellet. The NASICON's structures were studied by the Rietveld and the bond‐valence methods. The calculations and observed structural transitions confirm that the cobalt‐doping strategy promotes the structural transition and adjusts the structure to a better performance state. The doping strategy predicted by the ML model is consistent with our experimental results, providing very useful guidance for improving ionic conductivity of NASICON electrolytes.
Toward reliable fusion object detection based on dilated pyramid and semantic attention
Authors: Chang Rong , Gao Shan , Li Hao , Zhao Shan , Yang Yang
Published: June 2023

Object detection on fused images of visible and infrared modals is of great importance for many applications, for example, surveillance and rescue at low‐light conditions. However, current detectors have difficulty for robust fused image detection for mainly two reasons. First, objects are presented in various shapes and sizes, making some hard samples cannot be localized accurately. Second, the same object category in the fused images will have different appearance due to changing weather condition, temperature and intrinsic heat. Such a contradiction will degrade the classification task of a detection network, since it cannot merge commonalities and distinguish differences well. In this paper, we propose to reconstruct the detection pipeline of current detectors, and enhance the detection ability on difficult samples in fused images. Specifically, a Dilation Pyramid Network (DPN) is designed at the lateral connection to generate and aggregate features of various receptive field, without increasing pyramid layers. To strengthen the classification, a Semantic Category Attention Module (SCAM) is proposed to capture attention centers of semantics in fused images, rather than object centers. Abundant experiments on two fusion datasets show that the proposed method achieves a satisfying performance, and both modules can greatly improve current generic detectors on fused images.