bluuebunny/crossref_metadata_2025 huggingface dataset:
Dynamics of carbon sequestration in vegetation affected by large-scale surface coal mining and subsequent restoration
Authors: Xu Yaling , Li Jun , Zhang Chengye , Raval Simit , Guo Li , Yang Fei
Published: June 2024

Surface coal development activities include mining and ecological restoration, which significantly impact regional carbon sinks. Quantifying the dynamic impacts on carbon sequestration in vegetation (VCS) during coal development activities has been challenging. Here, we provided a novel approach to assess the dynamics of VCS affected by large-scale surface coal mining and subsequent restoration. This approach effectively overcomes the limitations imposed by the lack of finer scale and long-time series data through scale transformation. We found that mining activities directly decreased VCS by 384.63 Gg CO2, while restoration activities directly increased 192.51 Gg CO2 between 2001 and 2022. As of 2022, the deficit in VCS at the mining areas still had 1966.7 Gg CO2. The study highlights that complete restoration requires compensating not only for the loss in the year of destruction but also for the ongoing accumulation of losses throughout the mining lifecycle. The findings deepen insights into the intricate relationship between coal resource development and ecological environmental protection.
Intersection of narco trafficking, enforcement and bird conservation in the Americas
Authors: Rodewald Amanda D. , Lello-Smith Anna , Magliocca Nicholas R. , McSweeney Kendra , Strimas-Mackey Matt , Sesnie Steven E. , Nielsen Erik A.
Published: June 2024

Complex social challenges such as narco trafficking can have unexpected consequences for biodiversity conservation. Here we show how international counter-drug strategies may increase the risk of narco trafficking, which is associated with deforestation, in two-thirds of the important landscapes for forest birds in Central America. Soberingly, over half of Nearctic-Neotropical migratory species had more than one quarter, and 20% of species had over half, of their global population in areas threatened by narco trafficking, suggesting the need for more holistic strategies to better protect native biodiversity.
Impact of groundwater nitrogen legacy on water quality
Authors: Liu Xiaochen , Beusen Arthur H. W. , van Grinsven Hans J. M. , Wang Junjie , van Hoek Wim Joost , Ran Xiangbin , Mogollón José M. , Bouwman Alexander F.
Published: June 2024

The loss of agricultural nitrogen (N) is a leading cause of global eutrophication and freshwater and coastal hypoxia. Despite regulatory efforts, such as the European Union’s Nitrogen Directive, high concentrations of N persist in freshwaters. Excessive N leaching and accumulation in groundwater has created a substantial N reservoir as groundwater travel times are orders-of-magnitude slower than those of surface waters. In this study we reconstructed past and projected future N dynamics in groundwater for four major river basins, the Rhine, Mississippi, Yangtze and Pearl, showcasing different N trajectories. The Rhine and Mississippi river basins have accumulated N since the 1950s and although strategies to reduce excess agricultural N have worked well in the Rhine, groundwater legacy N persists in the Mississippi. The Yangtze and Pearl river basins entered the N accumulation phase in the 1970s and the accumulation is expected to continue until 2050. Policies to reduce N pollution from fertilizers have not halted N accumulation, highlighting the importance of accounting for the N legacy in groundwater. Restoring groundwater N storage to 1970 levels by diminishing N leaching will therefore take longer in the Yangtze and Pearl (>35 years) than in the Rhine (9 years) and Mississippi (15 years). Sustainable watershed management requires long-term strategies that address the impacts of legacy N and promote sustainable agricultural practices aligned with the Sustainable Development Goals to balance agricultural productivity with water conservation.
Biofabrication with microbial cellulose: from bioadaptive designs to living materials
Authors: Lu Yi , Mehling Marina , Huan Siqi , Bai Long , Rojas Orlando J.
Published: June 2024

This review provides comprehensive guidance on available 3D biofabrication methods, featuring solid-/soft-templating strategies, and discusses relevant opportunities for sustainable design and development.
Catalyzing epoxy oxygen migration on the basal surface of graphene oxide using strong hydrogen-bond donors
Authors: Karton Amir , Foller Tobias , Joshi Rakesh
Published: June 2024

Double-hybrid DFT simulations predict that strong hydrogen-bond donor catalysts can significantly accelerate epoxy group migration on graphene oxide.
Towards metal selenides: a promising anode for sodium-ion batteries
Authors: Liu Mingjie , Xu Junling , Shao Lianyi , Shi Xiaoyan , Li Chunsheng , Sun Zhipeng
Published: June 2024

An overview of our endeavors to address the challenges associated with metal selenide-based anode materials to achieve high performance for sodium-ion batteries.
Dinitrogen activation at chromium by photochemically induced CrII–C bond homolysis
Authors: Duletski Olivia L. , Platz Duncan , Pollock Charlie J. , Mosquera Martín A. , Arulsamy Navamoney , Mock Michael T.
Published: June 2024

Exposure of (POCOPtBu)Cr(Bn) to 427 nm blue light under 1 atm N2 promoted Cr–CBn bond homolysis and led to N2 activation forming [(POCOPtBu)Cr]2(μ-N2).
A luminescent Zn(ii) coordination polymer based on a new tetrazolyl–benzimidazolyl tripodal heterotopic ligand for detecting acetone and triethylamine in water
Authors: Wu Jia-Xuan , Mo Yi-Hong , Lin Xian , Zhou Bing-Xun , Cai Song-Liang , Fan Jun , Xie Mu-Biao , Zheng Sheng-Run
Published: June 2024

A Zn(ii) CP based on a new heterotopic tripodal ligand was synthesized and its applications in luminescent sensing of acetone and TEA were studied.
Design of pyrazine cocrystals of enzalutamide: a lead from 1,4-dioxane solvates
Authors: Prashanth Jupally , Voronin Alexander P. , Surov Artem O. , Balasubramanian Sridhar
Published: June 2024

The current study focuses on solvates and cocrystals of enzalutamide, formed in two stoichiometric ratios 1 : 0.5 and 2 : 0.5. The cocrystals of enzalutamide were developed based on the formation of solvates with a molecular replacement strategy.
Intermolecular charge transfer and solid-state solvent effect synergistically induce near-infrared thermally activated delay fluorescence in the guest–host system
Authors: Yang Junfang , Peng Qian
Published: June 2024

The red thermally activated delay fluorescence (TADF) is generated largely by the solid-state solvent effect, while near-infrared (NIR) TADF is attributed to the synergistic effect of solid-state solvent and guest–guest intermolecular charge transfer for guest–host systems.
Magnetic phase transition regulated by an interface coupling effect in CrBr3/electride Ca2N van der Waals heterostructures
Authors: Yin Zhengyu , Zhou Baozeng
Published: June 2024

The FM ground state in CrBr3 undergoes an AFM transition when combining with the electride Ca2N, which is mainly attributed to the interface coupling effect.
On the halide aggregation into the [Au4(PPh3)4]4+ cluster core. Insights from structural, optical and interaction energy analysis in [(Ph3PAu)4X2]2+ and [(Ph3PAu)4X]3+ species (X = Cl−, Br−, I−)
Authors: Guajardo-Maturana Raul , Rodríguez-Kessler Peter. L. , Muñoz-Castro Alvaro
Published: June 2024

The aggregation of halide atoms into gold clusters offers an interesting scenario for the development of novel metal-based cavities for anion recognition and sensing applications.
Stability and electronic, phononic, thermal and optical properties of SrX (X = S, Se) nanosheets based on AIMD and DFT computations
Authors: Abdullah Nzar Rauf , Abdullah Botan Jawdat , Salih Rangeen Othman , Hussein Hemn Gharib , Gudmundsson Vidar
Published: June 2024

We study the electronic structure, stability, and thermal and optical properties of hexagonal SrS and SrSe monolayers using first-principles calculations.
Study on the growth mechanism of monolayer and few-layer hexagonal boron nitride films on copper foil
Authors: Wang Mingyuan , Liu Guiwu , Lei Shuangying , Wan Neng
Published: June 2024

The diffusion of B and N atoms in the subsurface of Cu(111) and the passivation effect of H on the existing h-BN layer are crucial for the formation of few-layer h-BN.
Characterization of a conjugate between poly(N-vinyl caprolactam) and a triazine-based covalent organic framework as a potential biomaterial
Authors: Dhama Nitanshu , Prabha Rashmi , Chaudhary Karan , Masram Dhanraj T. , Venkatesu Pannuru
Published: June 2024

Brief Synopsis: A triazine-based CC-TAPT-COF resulted in a slight change in the PVCL conformation and LCST due to conjugate formation between them. Such conjugate with mixture of their unique features can be more valuable in bio-based applications.
Self-association as a solubility limiting factor of riboflavin in aqueous media
Authors: Ulmann Nadja , Hioe Johnny , Touraud Didier , Horinek Dominik , Kunz Werner
Published: June 2024

Physical–chemical reasons for the poor water-solubility of the vitamin and colorant riboflavin are investigated in order to find more appropriate riboflavin solubilizers.
A sugar-derived ligand for room temperature aerial oxidation or non-aqueous Markovnikov hydration of styrenes using a preformed or in situ generated Co complex
Authors: Pandey Sachchida Nand , Sengupta Arunava , Bera Rajib , Ali Sohel , Yadav Somnath
Published: June 2024

A novel diaminosugar-salen derived Co(ii) square-planar complex catalyzes the room temperature, aerial oxidation and non-aqueous hydration of styrenes. DFT studies reveal mechanistic details and key ligand features that enable its catalytic ability.
Development of a powdered activated charcoal sodium alginate hydrogel bead concentration method for detecting viruses in wastewater
Authors: Gouthro Madison , Hayes Emalie K. , Lewis Naomi , Fuller Megan , Shojaei Jamileh , Frampton John , Stoddart Amina K. , Gagnon Graham A.
Published: June 2024

Developing a simple and cost-effective wastewater concentration method using powdered activated charcoal sodium alginate (PAC-NaA) hydrogel beads, enhanced for capturing viruses.
Dietary fiber supplementation increases Drosophila melanogaster lifespan and gut microbiota diversity
Authors: Beghelli Daniela , Giusti Laura , Zallocco Lorenzo , Ronci Maurizio , Cappelli Alessia , Pontifex Matthew G. , Muller Michael , Damiani Claudia , Cirilli Ilenia , Hrelia Silvana , Vauzour David , Vittadini Elena , Favia Guido , Angeloni Cristina
Published: June 2024

Dietary fiber has been shown to have multiple health benefits, including a positive effect on longevity and the gut microbiota.
Characterization of ferroboron alloys by simultaneously quantifying Fe and B mass fractions and isotopic compositions of B by external particle induced gamma-ray emission method
Authors: Raja Sk Wasim , Acharya R. , Gandhi Akash Dileep , Singh J. B.
Published: June 2024

Mass fractions of Fe and B as well as isotopic compositions of B are non-destructively and simultaneously quantified in ferroboron alloys by external PIGE method using a 3.5 MeV proton beam.
Design, synthesis and anticancer evaluation of imamine-1,3,5-triazine derivatives
Authors: Xue Xuan-Yi , He Jing-Liang , Li Rui , Ding Bo , Wu Wen-Long , Cao Yao-Yao , He Ran , Hu Peng-Hong , Ji Jing , Shi Da-Hua
Published: June 2024

Compound 4f not only showed strong inhibitory effects on migration, invasion, and adhesion, but also inhibited the in vivo proliferation of the MDA-MB-231 tumor xenografts.
Boron–boron bonds: boldly breaking boundaries towards amine- and peroxide-free 2K radical polymerization
Authors: Pieringer Florian , Knaipp Konstantin , Liska Robert , Moszner Norbert , Catel Yohann , Gescheidt Georg , Knaack Patrick
Published: June 2024

Free radical polymerization (FRP) is one of the most important tools for the production of polymer materials.
Pd-catalyzed relay Heck arylation of alkenyl alcohols with arylsulfonium salts
Authors: Song Jia-Wei , Xia Fang , Zhang Xiu-Lan , Zhang Cheng-Pan
Published: June 2024

The Pd-catalyzed relay Heck arylation of alkenyl alcohols with arylsulfonium salts is first reported for synthesizing arylalkyl ketones or aldehydes.
Enhanced interfacial activity by maximizing synergy between long-chain ionic liquid and conventional surfactant for enhanced oil recovery
Authors: Asadabadi Simin , Saien Javad , Kharazi Mona
Published: June 2024

Mixtures of SAIL and surfactant caused high reductions in IFT, CMC and IFT at CMC alongside high synergy at ambient temperature and low total concentration.
MedChemExpress compounds prevent neuraminidase N1 via physics- and knowledge-based methods
Authors: Thai Quynh Mai , Nguyen Trung Hai , Phung Huong Thi Thu , Pham Minh Quan , Pham Nguyen Kim Tuyen , Horng Jim-Tong , Ngo Son Tung
Published: June 2024

MedChemExpress compounds prevent neuraminidase N1 via physics- and knowledge-based methods.
Synthesis and medicinal chemical characterisation of antiproliferative O,N-functionalised isopulegol derivatives
Authors: Le Tam Minh , Njangiru Isaac Kinyua , Vincze Anna , Zupkó István , Balogh György T. , Szakonyi Zsolt
Published: June 2024

Benzylation of isopulegol furnished O-benzyl-protected isopulegol, which was transformed into aminodiols via epoxidation followed by ring opening of the corresponding epoxides and subsequent hydrogenolysis.
UiO(Zr)-based MOF catalysts for light-driven aqueous pollutant degradation
Authors: Moore Samuel C. , Hubble Isabella L. , Ritchie Alyssa L. , Barzach Jeffrey E. , Sarazen Michele L.
Published: June 2024

Metal/linker modifications in UiO-MOFs promote photocatalytic degradation of aromatic pollutant with contrasting impact on oxidant utilization efficiency and material stability.
Correction: Hydrogen bonding bolstered head-to-tail ligation of functional chromophores in a 0D SbF3·glycine adduct for a short-wave ultraviolet nonlinear optical material
Authors: Bai Zhiyong , Lee Jihyun , Hu Chun-Li , Zou Guohong , Ok Kang Min
Published: June 2024

Correction for ‘Hydrogen bonding bolstered head-to-tail ligation of functional chromophores in a 0D SbF3·glycine adduct for a short-wave ultraviolet nonlinear optical material’ by Zhiyong Bai et al., Chem. Sci., 2024, 15, 6572–6576, https://doi.org/10.1039/D4SC01353K.
All-inorganic Sb2S3-based two-terminal tandem solar cells enable over 10.9% efficiency employing a concise interconnection layer
Authors: Chen Shiwu , Zhao Xinzhao , Shen Guohuan , Ke An , Liu Bohang , Hsu Hsien-Yi , Chen Chao , Yang Peizhi , Tang Jiang , Song Haisheng
Published: June 2024

Sb2S3-based two terminal tandem solar cells (2T-TSCs) are reported for the first time with the assistance of lead sulfide quantum dot rear cells. The PCE of the champion TSC reaches 10.92%. Our work opens the door for Sb2S3 based 2T-TSCs.
Biotopologically structured composite materials for low temperature energy storage
Authors: Wang Yu , Chen Xin , Cui Bo , Guo Cuiping , Li Yao , Liu Qinglei , Pan Hui , Zhang Di
Published: June 2024

A biotopologically structured configuration constructed by an energy-saving electrodeposition method for low-temperature supercapacitors.
Coupling thulium 4f orbitals with Ni3Fe LDH loaded with Pt to form an electronic buffer band for catalyzing alkaline overall water splitting
Authors: Yang Xinping , Li Shucheng , Zhang Yan , Qiu Fagui , Sun Yanbin , Ning Weikun , Tao Qinglong , Li Wenqing , Miao Shiding
Published: June 2024

When thulium is doped into Ni3Fe LDH, coupling thulium 4f orbitals with the Ni3Fe LDH system forms an electronic buffer band and Pt loading catalyzes alkaline overall water splitting.
LπCET: A Logic Security Analysis for Cryptographic Protocols Based on π‐Calculus Extension Theory
Authors: Wu Fusheng , Liu Jinhui , Li Yanbin , Ni Mingtao
Published: June 2024

The π‐calculus is a basic theory of mobile communication based on the notion of interaction, which, is aimed at analyzing and modeling the behaviors of communication processes in communicating and mobile systems, and is widely applied to the security analysis of cryptographic protocol’s design and implementation. But the π‐calculus does not provide seamless logical security analysis, so the logical flaws in the design and the implementation of a cryptographic protocol cannot be discovered in time. This paper introduces logical rules and logical proofs, binary tree, and the KMP algorithm and proposes a new extension of the π‐calculus theory, a logical security analysis method, and an algorithm. The aim is to analyze whether there are logical flaws in the design and the implementation of a cryptographic protocol, to ensure the security of the cryptographic protocol when it is encoded into software and implemented. This paper presents the logical security proof and analysis of the TLS1.3 protocol’s interactional implementation process. Empirical results show that the additional extension theory, the logical security analysis method, and the algorithm can effectively analyze whether there are logical flaws in the design and the implementation of a cryptographic protocol.
Analytical optimization of an inerter‐based dynamic vibration absorber for suppressing plate vibration
Authors: Zhang Haizhong , Chen Michael Z. Q.
Published: June 2024

An inerter‐based dynamic vibration absorber (IDVA) is proposed and applied to suppress the vibration of a plate. The dynamic model of a thin rectangular plate attached with an IDVA is established and the frequency response function of the transverse displacement of the plate is derived through the classical vibration theory and the analysis in the domain. In addition, the equation for frequency ratios of fixed points is obtained, and the condition for the existence of four fixed points is found by investigating the problem of solving quartic equations. Moreover, the extended fixed‐point method is employed to analytically obtain the optimal parameters of the IDVA attached to a plate, the expressions of the optimal damping ratio and other dimensionless qualities are presented.
Observer based output feedback repetitive learning control of robotic manipulators
Authors: Dogan Kadriye Merve , Tatlicioglu Enver , Zergeroglu Erkan , Cetin Kamil
Published: June 2024

This work tackles the tracking control problem of robotic manipulators where the robot dynamics contains uncertain parameters and joint velocity measurements are not available. Specifically when the robotic manipulator is required to perform a periodic task repetitively, as in most industrial applications, a repetitive learning controller is proposed that does not require joint velocity measurements and can compensate the uncertainties of the robot dynamical parameters and additive disturbances caused due to the periodic joint motion. The proposed solution is achieved via the use of a novel learning component in the controller design in conjunction with a novel model‐free joint velocity observer design. The stability of the closed‐loop system and the convergence of both the joint position tracking error and the joint velocity observation error to the origin are guaranteed via Lyapunov based arguments. Experimental results performed on a 2 degree of freedom robot manipulator are presented to demonstrate the performance of the proposed observer–controller couple.
A review of asset management using artificial intelligence‐based machine learning models: Applications for the electric power and energy system
Authors: Rajora Gopal Lal , Sanz‐Bobi Miguel A. , Tjernberg Lina Bertling , Urrea Cabus José Eduardo
Published: June 2024

Power system protection and asset management present persistent technical challenges, particularly in the context of the smart grid and renewable energy sectors. This paper aims to address these challenges by providing a comprehensive assessment of machine learning applications for effective asset management in power systems. The study focuses on the increasing demand for energy production while maintaining environmental sustainability and efficiency. By harnessing the power of modern technologies such as artificial intelligence (AI), machine learning (ML), and deep learning (DL), this research explores how ML techniques can be leveraged as powerful tools for the power industry. By showcasing practical applications and success stories, this paper demonstrates the growing acceptance of machine learning as a significant technology for current and future business needs in the power sector. Additionally, the study examines the barriers and difficulties of large‐scale ML deployment in practical settings while exploring potential opportunities for these tactics. Through this overview, insights into the transformative potential of ML in shaping the future of power system asset management are provided.
Three‐phase state estimation in transmission networks with unbalanced loading utilising SCADA measurements
Authors: Mofidnakhaei Mohammad Sadeq , Dobakhshari Ahmad Salehi
Published: June 2024

State estimation stands as one of the most crucial applications in energy management systems of control centres, ensuring the secure operation of the power system. The real‐time availability of accurate system variables, including voltages, currents, and power flows, presents an excellent opportunity to consider the actual network characteristics, including imbalances. This paper presents a linear and non‐iterative method to solve the three‐phase state estimation problem in transmission systems with unbalanced loading. The method utilises supervisory control and data acquisition measurements obtained from remote terminal units. The formulation is based on complex variables derived from traditional supervisory control and data acquisition measurements, with assumptions made regarding the availability of certain three‐phase bus voltages, as well as a number of three‐phase currents and active and reactive power flows. The proposed algorithm employs the classical weighted least squares technique for solving the three‐phase state estimation problem. Due to its straightforward and linear nature, the method ensures no convergence issues. To validate its effectiveness, the proposed method is validated on a three‐bus network and the IEEE 39‐bus network simulated using the three‐phase model within the DIgSILENT Power Factory environment.
Three‐dimensional interferometric inverse synthetic aperture radar imaging of ship target based on cubic phase signal model
Authors: Yang Junting , Wang Yong
Published: June 2024

The interferometric inverse synthetic aperture radar (InISAR) system realises the interferometric processing on the imaging results obtained from three radars on a set of orthogonal baselines and can get the three‐dimensional (3D) imaging for the ship target. The ship targets experience complex motion characteristics such as roll, pitch and yaw in the course of navigation. These motions lead to the blurred two‐dimensional (2D) images and further affect the interference performance during the InISAR procedure. Therefore, this paper proposes a 3D InISAR imaging algorithm for the ship targets based on the cubic phase signal (CPS) model. This method approximates the azimuth echo signal as a CPS and utilises the particle swarm optimization algorithm to estimate the higher‐order phase coefficients. While preserving the phase information, the 3D image result can be achieved by the interference processing between the high‐resolution 2D images. The effectiveness of the algorithm is validated through the simulation experiments under different baseline lengths and signal‐to‐noise ratios.
Die aktuelle ambulante psychotherapeutische Versorgung von Menschen
mit Migrations- und Fluchterfahrung in Deutschland – Eine
Übersicht
Authors: Nohr Laura , Dumke Lars , Klein Eva M. , Wilker Sarah
Published: June 2024

Obwohl psychische Gesundheit ein Menschenrecht ist, gelingt es selbst in einem
Land mit einem gut entwickelten Gesundheitssystem wie Deutschland nicht, allen
Menschen unabhängig von ihrer Herkunft diskriminierungsfreien Zugang zu
psychischer Versorgung zu gewährleisten. Menschen mit Flucht-oder
Migrationsgeschichte haben es besonders schwer, Zugang zu adäquater
psychotherapeutischer Versorgung zu erhalten. Diese Übersichtsarbeit widmet sich
zentralen Barrieren, die zur ambulanten Unterversorgung von Menschen mit Flucht-
oder Migrationsgeschichte beitragen. Als wichtigste Barrieren mit ausreichender
Evidenz wurden fehlendes Wissen über das Behandlungssystem, Angst vor Stigma,
strukturelle Barrieren, Sprachbarrieren, fehlende Vernetzung der
Versorgungslandschaft, mangelndes Wissen der Behandler:innen, sowie Stereotype,
Diskriminierung und Rassismus gegenüber Menschen mit Flucht- oder
Migrationsgeschichte identifiziert. Zur Ermöglichung eines
diskriminierungsfreien Zugangs zu Behandlung können innovative Konzepte wie
Peer-Angebote beitragen. Darüber hinaus ist es dringend erforderlich, die
Berufsgruppe der Psychotherapeut:innen in rassismus- und
diskriminierungssensiblen Arbeiten zu schulen, und diese Aspekte in die Aus- und
Weiterbildung von Therapeut:innen zu integrieren.
Photoredox- and Cobalt-Cocatalyzed Dehydrogenative Ring-Opening/Functionalization of Monodonor Cyclopropanes
Authors: Zuo Zhijun , Zhang Jiyao , Huang Haohao
Published: June 2024

Catalytic ring-opening/functionalization of unactive cyclopropanes has proven to be a significant but challenging task in organic synthesis. Herein, we disclose the photoredox and cobalt cocatalyzed ring-opening/acceptorless dehydrogenative functionalization of monodonor cyclopropanes, which provides a promising platform to achieve a sustainable and atom-economic approach to assemble allylic N-acyl-acetal derivatives. The reaction features mild conditions, broad substrate scopes, and excellent functional group compatibilities. The optimized conditions accommodate various cycloalkylamides and primary, secondary, and tertiary alcohols, with applications in late-stage functionalization of pharmaceutically relevant compounds, stimulating the further utility in medicinal chemistry. Selective nucleophilic substitutions and further transformations of desired products with various carbon nucleophiles were succeed in a one-pot fashion, thus offering diverse acyclic or cyclic derivatives.

1 Introduction

2 Cooperative Photoredox and Cobalt-Catalyzed Dehydrogenative Functionalization of Allylic N-Acyl-acetal Derivatives

3 Mechanistic Study

4 Preliminary Studies of Asymmetric Transformation

5 Conclusion and Perspectives
Recent Advances in Gold-Catalyzed Transformations of Vinyldiazo Reagents
Authors: López Luis A. , Bernardo Olaya , García-Martínez Patricia , Santamaría Javier
Published: June 2024

Since their discovery in 2011, gold-catalyzed transformations of vinyldiazo compounds have become an important synthetic tool, enabling the identification of new reaction patterns that have greatly expanded the versatility of these reagents. In this short review, we showcase the most relevant advances that have been made in this exciting area of research.

1 Introduction

2 Gold-Catalyzed Transformations of Vinyldiazo Compounds Involving Metal Carbene Intermediates

2.1 Liu’s Seminal Work: Vinylogous Reactivity of Au(I) Vinyl Carbenes

2.2 Gold-Catalyzed Reactions of Vinyldiazo Compounds with Alkenes

2.3 Gold-Catalyzed Reactions of Vinyldiazo Compounds with Alkynes

2.4 Gold-Catalyzed Reactions of Vinyldiazo Compounds with Allenes

2.5 Gold-Catalyzed Reactions of Vinyldiazo Reagents with Aromatic Compounds

2.6 Gold-Catalyzed Reactions of Vinyldiazo Compounds with Nitriles

2.7 Gold-Catalyzed Diazo Cross-Couplings

3 Gold-Catalyzed Transformations of Vinyldiazo Compounds That Do Not Involve Initial Dinitrogen Extrusion

3.1 Gold-Catalyzed Formal [n+2] Cycloaddition Reactions through the Vinyl Moiety of Vinyldiazo Compounds

3.2 Gold-Catalyzed Transformations of Vinyldiazo Compounds Involving Initial Activation of the Non-Diazo Reagent

4 Conclusions
Efficient Synthesis of Esters by Cleavage of C–S and C–N Bonds via Alkylation and Activation of Thioamides
Authors: Gururaja Guddeangadi N. , Vankar Jigarkumar K. , Jadav Jaydeepbhai P.
Published: June 2024

A mild and efficient reaction for synthesizing esters from thioamide precursors has been established. This method is accomplished in one pot under mild conditions. The process involves the alkylation and activation of inert thioamides, which leads to the cleavage of stable C–N and C–S bonds, eventually resulting in valuable esters with a broad range of substrates. The transformation can be easily carried out at room temperature using thioamide substrates, reactants, and activating agents. This protocol has been demonstrated by synthesizing important esters with applications.
Patient-Based Ratio Method for Permanent Zone Donor Area Calculation in Hair Transplant
Authors: Punia Sudhanshu , Goel Aakanksha , Gupta Amit
Published: June 2024

Introduction Most common type of hair loss is androgenetic alopecia. Orentreich's donor dominance theory and the definition of safe donor area are the theoretical foundation of modern hair transplantation. In safe donor area no progression of permanent hair loss occurs. Its knowledge is important to prevent loss of transplanted hair. Estimation is not tailored to every patient, also in early stages, the margins are assumed to be free from future hair loss. Our study is an attempt to find and establish a relationship between safe zone dimensions and other standard scalp dimensions, and effectively predict the complete safe zone in early stages of hair loss.

Materials and Methods From July to December 2022, the first 100 patients with Norwood IV onwards of hair loss were included. Then, the distance between the vertex and the point of change in occipital hair quality and density was measured, and from this point till occipital protuberance were taken. The ratio between the two was taken. In the next 100 patients of Norwood II to IVa, the applicability of the new ratio to assess the permanent zone was used.

Results Ratio method takes into account the patient's measurements, that is, permanent zone and total distance from vertex occiput. The ratio range we got is:

Permanent zone: total distance from vertex to occiput: 0.43–0.53

Therefore, the permanent zone would be equal to = total distance from vertex to occiput × 0.43–0.53. With the lower limit being the occiput. Over 90% of the patients did not have significant reduction in density of transplanted hair.

Conclusion The authors suggest the use of this ratio method to determine the dimensions of the permanent zone especially in patients with early grades of hair loss as per the Norwood scale. It is a simple, effective, and easily applicable concept that can ensure long-lasting results in patients undergoing hair transplants.
Evaluating Operative Times for Intraoperative Conversion of Axillary Node Biopsy to Axillary Lymph Node Dissection with Immediate Lymphatic Reconstruction
Authors: Ahmed Shahnur , Hulsman Luci , Roth Dylan , Fisher Carla , Ludwig Kandice , Imeokparia Folasade O. , VonDerHaar Richard Jason , Lester Mary E. , Hassanein Aladdin H.
Published: June 2024

Background Lymphedema can occur in patients undergoing axillary lymph node dissection (ALND) and radiation for breast cancer. Immediate lymphatic reconstruction (ILR) is performed to decrease the risk of lymphedema in patients after ALND. Some patients who ultimately require ALND are candidates for attempted sentinel lymph node biopsy (SLNB) or targeted axillary excision. In those scenarios, ALND can be performed (1) immediately if frozen sections are positive or (2) as a second operation following permanent pathology. The purpose of this study is to evaluate immediate ALND/ILR following positive intraoperative frozen sections to guide surgical decision-making and operative planning.

Methods A single-center retrospective review was performed (2019–2022) for breast cancer patients undergoing axillary node surgery with breast reconstruction. Patients were divided into two groups: immediate conversion to ALND/ILR (Group 1) and no immediate conversion to ALND (Group 2). Demographic data and operative time were recorded.

Results There were 148 patients who underwent mastectomy, tissue expander (TE) reconstruction, and axillary node surgery. Group 1 included 30 patients who had mastectomy, sentinel node/targeted node biopsy, TE reconstruction, and intraoperative conversion to immediate ALND/ILR. Group 2 had 118 patients who underwent mastectomy with TE reconstruction and SLNB with no ALND or ILR. Operative time for bilateral surgery was 303.1 ± 63.2 minutes in Group 1 compared with 222.6 ± 52.2 minutes in Group 2 (p = 0.001). Operative time in Group 1 patients undergoing unilateral surgery was 252.3 ± 71.6 minutes compared with 171.3 ± 43.2 minutes in Group 2 (p = 0.001).

Conclusion Intraoperative frozen section of sentinel/targeted nodes extended operative time by approximately 80 minutes in patients undergoing mastectomy with breast reconstruction and conversion of SLNB to ALND/ILR. Intraoperative conversion to ALND adds unpredictability to the operation as well as additional potentially unaccounted operative time. However, staging ALND requires an additional operation.
Field Study and Correlative Studies of Factor IX Variant FIX-R338L in Participants Treated with Fidanacogene Elaparvovec
Authors: Pittman Debra D. , Carrieri Charles , Soares Holly , McKay John , Tan Charles Y. , Liang John Z. , Rakhe Swapnil , Marshall Jean-Claude , Murphy John E. , Gaitonde Puneet , Rupon Jeremy
Published: June 2024

Background Fidanacogene elaparvovec, an adeno-associated virus-based gene therapy vector expressing the high-activity factor IX (FIX) variant FIX-R338L, is in development for hemophilia B. One-stage clotting (OS) assays and chromogenic substrate (CS) assays are commonly used to measure FIX-R338L variant activity. Data from ongoing trials suggest FIX activity varies between different OS and CS assays.

Material and Methods To better understand FIX-R338L activity in clinical samples, an international multisite field study was conducted across a central laboratory and 18 local laboratories, using standard protocols, reagents, and instrumentation, with individual participant samples from a phase 1/2a study of fidanacogene elaparvovec.

Results Unlike the wild-type FIX control, FIX-R338L activity was higher with the OS silica-based assay versus OS ellagic acid–based and CS assays. Variation in FIX activity was greater at the lowest activity levels. Activated FIX (FIXa) in plasma could result in higher OS assay activity or increased thrombin generation, which could overestimate FIX activity. However, FIXa was not detected in the participant samples, indicating that it was not contributing to the OS assay differences. Since individuals on gene therapy may receive exogenous replacement FIX products, replacement products were spiked into patient plasma samples to target a therapeutic concentration. Exogenous FIX was additive to endogenous FIX-R338L, with no interference from FIX-R338L.

Conclusion These results demonstrate FIX-R338L activity can be measured with OS and CS assays in clinical laboratories and provide insight into assay variability when measuring FIX with endogenously produced FIX-R338L. The findings may help establish best practices for measuring FIX-R338L activity (Clinicaltrials.gov identifier: NCT02484092).
Early Tracheostomy versus Late Tracheostomy in Patients with Moderate-to-Severe Traumatic Brain Injury
Authors: Nadeem Umar , Fatima Tahreem , Farooq Ayesha , Hassan Umar , Ahmed Arslan
Published: June 2024

Objective The aim of this article was to study the impact of early versus late tracheostomy on clinical outcomes of moderate-to-severe traumatic brain injury (TBI).

Materials and Methods A retrospective cross-sectional study was conducted in the Neurosurgery Department, Mayo Hospital, Lahore, in which a sample size of 50 cases was calculated over a period of 6 months from January 1, 2022, to June 30, 2022. The included cases were patients who suffered from moderate-to-severe TBI, isolated TBI, needed elective ventilation, required intensive care unit (ICU) admission during their hospital stay, and were between the ages of 18 and 65 years. All the rest were excluded. A structured proforma was used by the physician to collect data after the informed consent of the patient. The results were computed and analyzed statistically using Statistical Package for Social Sciences, version 26.

Results The median age of patients was 40 (interquartile [IQ] range 34) years and were predominantly male (72%). The most common mode of injury was road traffic accidents (58%). The median Glasgow Coma Scale (GCS) score at arrival was 8 (IQ range 6) and the most common pupillary light reflex at presentation was bilaterally equally responsive to light (68%). Neurologic deficits were mostly absent or cannot be assessed on presentation (86%) and in 38% of the cases multiple findings were noted on computed tomography (CT) scan while among single findings seen on CT scan, subdural hematoma was the most common (22%). Multiple regression analysis was done through two separate models using age, gender, mode of injury, presenting GCS score, number of CT-scan findings, number of days after endotracheal intubation after which tracheostomy was done, and the timing of tracheostomy (early vs. late) as predictors, and a significant relationship was noted between the timing of tracheostomy (early vs. late) and GCS at discharge (p = 0.001) as well as extended Glasgow Outcome Score (GOS) at discharge (p = 0.013).

Conclusion This study suggests that moderate-to-severe TBIs are most common in middle-aged males and mostly involve road traffic accidents. In most cases, multiple CT-scan findings are seen as compared with a single predominant finding. In such patients, early tracheostomy is superior to late tracheostomy as it results in significantly better GCS and GOS scores at discharge as well as a decreased duration of mechanical ventilation and ICU stay.
Tipping points of evolving epidemiological networks: Machine learning-assisted, data-driven effective modeling
Authors: Evangelou Nikolaos , Cui Tianqi , Bello-Rivas Juan M. , Makeev Alexei , Kevrekidis Ioannis G.
Published: June 2024

We study the tipping point collective dynamics of an adaptive susceptible–infected–susceptible (SIS) epidemiological network in a data-driven, machine learning-assisted manner. We identify a parameter-dependent effective stochastic differential equation (eSDE) in terms of physically meaningful coarse mean-field variables through a deep-learning ResNet architecture inspired by numerical stochastic integrators. We construct an approximate effective bifurcation diagram based on the identified drift term of the eSDE and contrast it with the mean-field SIS model bifurcation diagram. We observe a subcritical Hopf bifurcation in the evolving network’s effective SIS dynamics that causes the tipping point behavior; this takes the form of large amplitude collective oscillations that spontaneously—yet rarely—arise from the neighborhood of a (noisy) stationary state. We study the statistics of these rare events both through repeated brute force simulations and by using established mathematical/computational tools exploiting the right-hand side of the identified SDE. We demonstrate that such a collective SDE can also be identified (and the rare event computations also performed) in terms of data-driven coarse observables, obtained here via manifold learning techniques, in particular, Diffusion Maps. The workflow of our study is straightforwardly applicable to other complex dynamic problems exhibiting tipping point dynamics.
Decoding electroencephalographic responses to visual stimuli compatible with electrical stimulation
Authors: Romeni Simone , Toni Laura , Artoni Fiorenzo , Micera Silvestro
Published: June 2024

Electrical stimulation of the visual nervous system could improve the quality of life of patients affected by acquired blindness by restoring some visual sensations, but requires careful optimization of stimulation parameters to produce useful perceptions. Neural correlates of elicited perceptions could be used for fast automatic optimization, with electroencephalography as a natural choice as it can be acquired non-invasively. Nonetheless, its low signal-to-noise ratio may hinder discrimination of similar visual patterns, preventing its use in the optimization of electrical stimulation. Our work investigates for the first time the discriminability of the electroencephalographic responses to visual stimuli compatible with electrical stimulation, employing a newly acquired dataset whose stimuli encompass the concurrent variation of several features, while neuroscience research tends to study the neural correlates of single visual features. We then performed above-chance single-trial decoding of multiple features of our newly crafted visual stimuli using relatively simple machine learning algorithms. A decoding scheme employing the information from multiple stimulus presentations was implemented, substantially improving our decoding performance, suggesting that such methods should be used systematically in future applications. The significance of the present work relies in the determination of which visual features can be decoded from electroencephalographic responses to electrical stimulation-compatible stimuli and at which granularity they can be discriminated. Our methods pave the way to using electroencephalographic correlates to optimize electrical stimulation parameters, thus increasing the effectiveness of current visual neuroprostheses.
Localized phase contrast imaging at the Wendelstein 7-X stellarator
Authors: Hansen S. K. , Porkolab M. , Bähner J.-P. , Stechow A. von , Grulke O. , Edlund E. M. ,   the Wendelstein 7-X Team
Published: June 2024

In its basic form, phase contrast imaging (PCI) provides line-integrated measurements of electron density fluctuations in plasmas. As turbulent fluctuations in magnetically confined plasmas have wave vectors almost perpendicular to the background magnetic field, the signals scattered by fluctuations from different parts of the PCI line-of-sight (LoS) are spatially separated in focal planes of the plasma. This allows localized PCI measurements by placing a mask in such a plane, to only permit signals from specific parts of the LoS to reach the PCI detectors. The present paper describes modeling and design of localization masks for the PCI system at the Wendelstein 7-X (W7-X) stellarator as well as the first results obtained using the masks in the recent long-pulse W7-X experimental campaign. During this project, we have extended the theory describing the mask response within the Fraunhofer diffraction model. As a novel development, we show from first principles that the mask response is determined by the fraction of power of the scattered beam spots that passes the mask. These insights have been used to select the W7-X mask design, consisting of a circular cutout, allowing the unscattered beam spot to pass the mask, with wedges covering a fixed angular range outside the central cutout. In the recent W7-X experimental campaign, the masks have verified the location of the main turbulence features observed by the PCI system and provided new information about the location of short-wavelength magnetohydrodynamic modes.
Excitonic correlations in the system of gated metallic wires with the applied Zeeman magnetic field
Authors: Apinyan V. , Kopeć T. K.
Published: June 2024

We have studied the electron–electron interactions in the system composed of two metallic one-dimensional point contact and zero-sized wires, in the applied electric field and exposed to the influence of the external Zeeman magnetic field. The interactions between the electrons within wires have been taken into account within the usual Hubbard model. We have considered different limits of particle-filling on the atomic lattice site positions. We show the existence of the excitonic pairing in this one-dimensional system in different limits of the electron–electron interactions, magnetic field, and temperature. We demonstrate that the usual Hubbard-U interaction leads to strong electron localization, which enhances the local antiferromagnetic order in the system.
Temperature and structure measurements of heavy-ion-heated diamond using in situ X-ray diagnostics
Authors: Lütgert J. , Hesselbach P. , Schörner M. , Bagnoud V. , Belikov R. , Drechsel P. , Heuser B. , Humphries O. S. , Katrik P. , Lindqvist B. , Qu C. , Redmer R. , Riley D. , Schaumann G. , Schumacher S. , Tauschwitz A. , Varentsov D. , Weyrich K. , Yu X. , Zielbauer B. , Major Zs. , Neumayer P. , Kraus D.
Published: June 2024

We present in situ measurements of spectrally resolved X-ray scattering and X-ray diffraction from monocrystalline diamond samples heated with an intense pulse of heavy ions. In this way, we determine the samples’ heating dynamics and their microscopic and macroscopic structural integrity over a timespan of several microseconds. Connecting the ratio of elastic to inelastic scattering with state-of-the-art density functional theory molecular dynamics simulations allows the inference of average temperatures around 1300 K, in agreement with predictions from stopping power calculations. The simultaneous diffraction measurements show no hints of any volumetric graphitization of the material, but do indicate the onset of fracture in the diamond sample. Our experiments pave the way for future studies at the Facility for Antiproton and Ion Research, where a substantially increased intensity of the heavy ion beam will be available.
Experimental study on radial suction flow and its effect in water vortex unit
Authors: Lyu Xinrui , Dai Hao , Shi Kaige , Li Xin
Published: June 2024

A water vortex unit is a non-contact adsorption unit that utilizes water as a flowing medium. Negative pressure is generated on the adsorbed surface through the high-velocity rotation of the fluid, resulting in suction force. In comparison to the air vortex unit, the water vortex unit exhibits a substantial increase in suction force and has the capability to deliver greater power. However, the presence of the central bubble in the water vortex unit weakens the suction force. To address the impact of the central bubble, a suction hole was introduced on the vortex unit to remove them. Experimental results indicate that solely removing the central bubble has almost no effect on the radial pressure gradients in the gap flow path and chamber center of the water vortex unit. However, in the cylindrical neighborhood, the radial pressure gradient increases, leading to a certain degree of improvement in suction force. Further increasing the suction flow rate induces inward radial flow within the vortex chamber. This flow field further enhances the suction force. To analyze the reasons for this pressure distribution, we indirectly obtained the radial velocity distribution by examining the relationship between the pressure gradient and tangential velocity. The results of the tangential velocity distribution indicate that the radially inward suction flow significantly increases the rotational velocity of the fluid in the chamber center, enhancing the centrifugal inertial effect. This further reduces the negative pressure, resulting in a significant improvement in the suction of the vortex unit.