bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cold spots are universal in protein–protein interactions
Authors: Gurusinghe Sagara N.S. , Oppenheimer Ben , Shifman Julia M. 
Published: September 2022

AbstractProteins interact with each other through binding interfaces that differ greatly in size and physico‐chemical properties. Within the binding interface, a few residues called hot spots contribute the majority of the binding free energy and are hence irreplaceable. In contrast, cold spots are occupied by suboptimal amino acids, providing possibility for affinity enhancement through mutations. In this study, we identify cold spots due to cavities and unfavorable charge interactions in multiple protein–protein interactions (PPIs). For our cold spot analysis, we first use a small affinity database of PPIs with known structures and affinities and then expand our search to nearly 4000 homo‐ and heterodimers in the Protein Data Bank (PDB). We observe that cold spots due to cavities are present in nearly all PPIs unrelated to their binding affinity, while unfavorable charge interactions are relatively rare. We also find that most cold spots are located in the periphery of the binding interface, with high‐affinity complexes showing fewer centrally located colds spots than low‐affinity complexes. A larger number of cold spots is also found in non‐cognate interactions compared to their cognate counterparts. Furthermore, our analysis reveals that cold spots are more frequent in homo‐dimeric complexes compared to hetero‐complexes, likely due to symmetry constraints imposed on sequences of homodimers. Finally, we find that glycines, glutamates, and arginines are the most frequent amino acids appearing at cold spot positions. Our analysis emphasizes the importance of cold spot positions to protein evolution and facilitates protein engineering studies directed at enhancing binding affinity and specificity in a wide range of applications.
Origins and history of autoimmunity—A brief review
Authors: Ahsan Haseeb 
Published: September 2022

AbstractIt was not widely recognized, until the 1950s, that an immune response could be developed not only against “foreign” but also “self” antigens from the studies of chronic thyroiditis leading to the acceptance of autoimmune diseases. Paul Ehrlich coined the term “horror autotoxicus” to emphasize the pathogenesis of autoimmunity and how the immune system distinguishes “foreign” from “self”. The process led to the concept of immune tolerance. The discoveries of allergy and anaphylaxis were the first signs that the immune system was capable of self‐damage. The first autoantibodies were discovered in the 1940s, when antinuclear antibodies and rheumatoid factors were described as serum factors that could bind nuclear antigens and immunoglobulins, respectively. It has now becoming increasingly understandable that autoantibodies play a pivotal role in the pathogenesis of several diseases and mediate systemic inflammation and tissue injury. The purpose of this review article is to elucidate, explain, and emphasize the origins and history of autoimmunity.
Performance‐guaranteed containment control for pure‐feedback multi agent systems via reinforcement learning algorithm
Authors: Luo Ao , Xiao Wenbin , Li Xiao‐Meng , Yao Deyin , Zhou Qi 
Published: September 2022

AbstractIn this article, a performance‐guaranteed containment control scheme based on reinforcement learning (RL) algorithm is proposed for a class of pure‐feedback multi agent systems (MASs) with unmeasurable states. The unknown nonlinear functions are approximated by the neural networks (NNs) and an adaptive NN state observer is designed for the states estimation. Based on estimated states, the algebraic loop problem can be removed by introducing filtered signals, and the actor‐critic architecture of RL algorithm is employed to acquire the optimal controller in the framework of backstepping. Different from many optimal strategies, this article proposes a simpler mechanism based on the uniqueness of the optimal solution to obtain the actor and critic updating laws instead of gradient descent algorithm with complicated calculation. In addition, predefined performance function and an improved error transformation technique are utilized to guarantee the containment error within a prescribed boundary. By using Lyapunov stability theory and graph theory, the stability of the closed‐loop system can be demonstrated. Finally, the effectiveness of the method proposed in this article is verified by a simulation example.
Regional analysis of the sustainable development of two Mediterranean countries: Spain and Italy
Authors: Puertas Rosa , Marti Luisa 
Published: September 2022

AbstractThe 17 Sustainable Development Goals (SDGs) require the implementation of 167 targets aimed at eradicating poverty, protecting the planet and improving the quality of life of humankind. The United Nations calls for uniform sustainable development at the global, local and individual levels. This research pursues a twofold objective: first, to obtain evidence on the extent to which the achievement of the (SDGs) may be uniform across territories; second, to identify the socioeconomic characteristics that contribute to sustainable development. The empirical analysis has been carried out using clustering, cross efficiency and contingency tables applied to statistical information from 101 municipalities in Spain and Italy. The results provide evidence of inequalities between territories, revealing that only in the dimensions People (SDGs 1, 2, 3, 4, and 5) and Prosperity (SDGs 7, 8, 9, 10, and 11) has the desired homogeneity been attained. Notable differences are found in the degree of compliance with the other SDGs. Furthermore, it is shown that the socioeconomic characteristics associated with the geographical location contribute substantially to the gap between municipalities. In order to ensure countries' sustainable development, there is a need for environmental policies adapted to the specific features of each region.
Long‐Cycling All‐Solid‐State Batteries Achieved by 2D Interface between Prelithiated Aluminum Foil Anode and Sulfide Electrolyte
Authors: Fan Zengjie , Ding Bing , Li Zhiwei , Hu Ben , Xu Chong , Xu Chengyang , Dou Hui , Zhang Xiaogang 
Published: September 2022

AbstractAll‐solid‐state batteries (ASSBs) with alloy anodes are expected to achieve high energy density and safety. However, the stability of alloy anodes is largely impeded by their large volume changes during cycling and poor interfacial stability against solid‐state electrolytes. Here, a mechanically prelithiation aluminum foil (MP‐Al‐H) is used as an anode to construct high‐performance ASSBs with sulfide electrolyte. The dense Li–Al layer of the MP‐Al‐H foil acts as a prelithiated anode and forms a 2D interface with sulfide electrolyte, while the unlithiated Al layer acts as a tightly bound current collector and ensures the structural integrity of the electrode. Remarkably, the MP‐Al‐H anode exhibits superior lithium conduction kinetics and stable interfacial compatibility with Li6PS5Cl (LPSCl) and Li10GeP2S12 electrolytes. Consequently, the symmetrical cells using LPSCl electrolyte can work at a high current density of 7.5 mA cm−2 and endure for over 1500 h at 1 mA cm−2. Notably, ≈100% capacity is retained for the MP‐Al‐H||LPSCl||LiCoO2 full cell with high area loadings of 18 mg cm−2 after 300 cycles. This work offers a pathway to improve the interfacial and performance issues for the application of ASSBs.
An essay on ready‐ing: Tending the prelude to change
Authors: Bateson Nora 
Published: September 2022

AbstractComplexity of living systems is characterized by multicontextual, constant responsive change. This creates continuation of some patterns and discontinuation of others. While change is predictably constant, it is unpredictable in direction and often occurs at second and nth orders of systemic relationality. So what makes a living system ready to change? This is a theory of change that changes a theory of change. Before the change there is a coalescence of factors and experiences that produce a undeterminable ready‐ing instead of action. What if, instead thinking of a theory of change being produced from an identified preferred goal or outcome, the focus instead was placed on the way in which a system becomes ready for undetermined change? Can unforeseen ready‐ness be nourished? While linear managing or controlling of the direction of change may appear desirable, tending to how the system becomes ready allows for pathways of possibility previously unimagined.
Emergence of the resistance‐nodulation‐division efflux pump tmexCD3‐toprJ3 gene confers resistance to tigecycline in Pseudomonas juntendi and Proteus terrae isolated from a pig farm in China
Authors: Yang Jie , Zeng Ziyue , Hu Jufang , Liu Zhihong , Gu Jinrong , Chen Xiaojun , Sun Zhiliang , Li Jiyun 
Published: September 2022

AbstractBackgroundTigecycline is regarded as a last‐resort antimicrobial agent against multidrug resistance (MDR). However, resistance‐nodulation‐division efflux pump resistance genes, such as tmexCD3‐toprJ3, that confer resistance to tigecycline have emerged.ObjectivesThis study aimed to characterise the tmexCD3‐toprJ3 gene cluster in Pseudomonas juntendi and Proteus terrae isolated from a pig farm.MethodsSamples were obtained from a Chinese piggery and included 92 pig faecal samples, 56 wastewater samples, 23 drinking water samples, 28 sow vagina samples and nine sow uterus swabs. The presence of tmexCD3‐toprJ3 was detected using a polymerase chain reaction assay, and the antimicrobial susceptibility profile of the tmexCD3‐toprJ3‐positive isolates was determined using the broth dilution method. Genomic locations were identified using whole‐genome sequencing and bioinformatics.ResultsWe identified two tmexCD3‐toprJ3‐positive isolates, and both isolates were highly resistant to antibiotics such as tigecycline. In addition, we identified several mobile elements (ISPa7, ISCfr1, ISVsa3) and insertion sequences (TnAs2, TnAs3) in tmexCD3‐toprJ3‐positive isolates that could increase the potential for the spread of MDR.ConclusionsTo the best of our knowledge, this study is the first to report the detection of tmexCD3‐toprJ3 in P. juntendi and P. terrae isolated from a pig farm.
Resources recovery—Separation and recovery of copper from desalination brine through Lewatit TP 207 resin
Authors: Lee Cheng‐Han , Chen Wei‐Sheng 
Published: September 2022

AbstractBecause of freshwater scarcity caused by extreme climate change, desalination technique has been developed in many countries to acquire freshwater. However, desalination plants worldwide not only produce freshwater but also generate large amounts of high salinity wastewater (brine). Brine discharge will decrease the concentration of dissolved oxygen in seawater and affect the organism's habitat. The only merit of the brine is that the concentrations of valuable metals in brine are higher than in seawater. Therefore, it is an opportunity to recover metals from brine and solve the environmental problem simultaneously. This study then aims to recover copper from brine through the ion exchange method. The research could be divided into three parts. To begin with, the saturated adsorption capacity of copper through Lewatit TP 207 resin was 30.58 mg/g, and the adsorption behavior was in accord with the Langmuir model. The optimal parameters of copper adsorption through the resin would be surveyed in the second part. The results demonstrated that 16.1 mg/l of copper could be adsorbed from brine under contacting period of 16 min, pH 14, L/S ratio of 2000, and temperature at 328 K. In addition, the thermodynamic parameters would also be explored to realize how the adsorption reaction was processed. Lastly, different agents and desorption parameters would be investigated to separate the copper from the resin. The copper compound and the resin could be obtained and regenerated after desorption.Practitioner Points

Reusing desalination brine could reduce its amount of discharge and increase its value.
A 16.1 mg/l of copper could be adsorbed from desalination brine through the Lewatit TP 207 system.
The optimal parameters are contacting period of 16 min, pH 14, L/S ratio of 2000, and temperature at 328 K.
After adsorbing, copper could be desorbed by HCl, and copper chloride could be acquired by vacuum drying the solutions.
This is a method with the goal of laboratory‐safe, low‐cost, and high‐energy efficiency.
Enhanced flavour profiles through radicicol induced genomic variation in the lager yeasts, Saccharomyces pastorianus
Authors: de la Cerda Garcia‐Caro Roberto , Thompson Georgia , Zhang Penghan , Hokamp Karsten , Roche Fiona , Carlin Silvia , Vrhovsek Urska , Bond Ursula 
Published: September 2022

AbstractThe yeasts, Saccharomyces pastorianus, are hybrids of Saccharomyces cerevisiae and Saccharomyces eubayanus and have acquired traits from the combined parental genomes such as ability to ferment a range of sugars at low temperatures and to produce aromatic flavour compounds, allowing for the production of lager beers with crisp, clean flavours. The polyploid strains are sterile and have reached an evolutionary bottleneck for genetic variation. Here we describe an accelerated evolution approach to obtain lager yeasts with enhanced flavour profiles. As the relative expression of orthologous alleles is a significant contributor to the transcriptome during fermentation, we aimed to induce genetic variation by altering the S. cerevisiae to S. eubayanus chromosome ratio. Aneuploidy was induced through the temporary inhibition of the cell's stress response and strains with increased production of aromatic amino acids via the Shikimate pathway were selected by resistance to amino acid analogues. Genomic changes such as gross chromosomal rearrangements, chromosome loss and chromosome gain were detected in the characterised mutants, as were single‐nucleotide polymorphisms in ARO4, encoding for DAHP synthase, the catalytic enzyme in the first step of the Shikimate pathway. Transcriptome analysis confirmed the upregulation of genes encoding enzymes in the Ehrlich pathway and the concomitant increase in the production of higher alcohols and esters such as 2‐phenylethanol, 2‐phenylethyl acetate, tryptophol, and tyrosol. We propose that the polyploid nature of S. pastorianus genomes is an advantageous trait supporting opportunities for genetic alteration in otherwise sterile strains.
Minimal model of Chiral Higher Spin Gravity
Authors: Sharapov Alexey , Skvortsov Evgeny , Sukhanov Arseny , Van Dongen Richard 
Published: September 2022

Abstract
A unique class of local Higher Spin Gravities with propagating massless fields in 4d — Chiral Higher Spin Gravity — was first found in the light-cone gauge. We construct a covariant form of the corresponding field equations in all orders, thus completing the previous analysis of arXiv:2204.10285. This result is equivalent to taking the minimal model (in the sense of L∞-algebras) of the jet-space BV-BRST formulation of Chiral Higher Spin Gravity, thereby, containing also information about counterterms, anomalies, etc.
A comment on a fine-grained description of evaporating black holes with baby universes
Authors: Iizuka Norihiro , Miyata Akihiro , Ugajin Tomonori 
Published: September 2022

Abstract
We study a partially fine-grained description of an evaporating black hole by introducing an open baby universe with a boundary. Since the Page’s calculation of the entropy of Hawking radiation involves an ensemble average over a class of states, one can formally obtain a fine-grained state by purifying this setup. For AdS black holes with a holographic dual, this purification amounts to introducing an additional boundary (i.e., baby universe) and then connecting it to the original black hole through an Einstein-Rosen bridge. We uncover several details of this setup. As applications, we briefly discuss how this baby universe modifies the semi-classical gravitational Gauss law as well as the gravitational dressing of operators behind the horizon.
Flatland: abelian extensions of the Standard Model with semi-simple completions
Authors: Davighi Joe , Tooby-Smith Joseph 
Published: September 2022

Abstract
We parametrise the space of all possible flavour non-universal $$ \mathfrak{u} $$
u
(1)X extensions of the Standard Model that embed inside anomaly-free semi-simple gauge theories, including up to three right-handed neutrinos. More generally, we parametrise all abelian extensions (i.e. by any number of $$ \mathfrak{u} $$
u
(1)’s) of the SM with such semi-simple completions. The resulting space of abelian extensions is a collection of planes of dimensions ≤ 6. Numerically, we find that roughly 2.5% of anomaly-free $$ \mathfrak{u} $$
u
(1)X extensions of the SM with a maximum charge ratio of ±10 can be embedded in such semi-simple gauge theories. Any vector-like anomaly-free abelian extension embeds (at least) inside $$ \mathfrak{g} $$
g
= $$ \mathfrak{su} $$
su
(12) ⊕ $$ \mathfrak{su} $$
su
(2)L ⊕ $$ \mathfrak{su} $$
su
(2)R. We also provide a simple computer program that tests whether a given $$ \mathfrak{u}{(1)}_{X^1} $$
u

1

X
1

⊕ $$ \mathfrak{u}{(1)}_{X^2} $$
u

1

X
2

⊕ . . . charge assignment has a semi-simple completion and, if it does, outputs a set of maximal gauge algebras in which the $$ \mathfrak{sm} $$
sm
⊕ $$ \mathfrak{u}{(1)}_{X^1} $$
u

1

X
1

⊕ $$ \mathfrak{u}{(1)}_{X^2} $$
u

1

X
2

⊕ . . . model may be embedded. We hope this is a useful tool in pointing the way from $$ \mathfrak{sm} $$
sm
⊕ $$ \mathfrak{u}{(1)}_{X^1} $$
u

1

X
1

⊕ $$ \mathfrak{u}{(1)}_{X^2} $$
u

1

X
2

⊕ . . . models, which have many phenomenological uses, to their unified gauge completions in the ultraviolet.
Impact of the Dresden-II and COHERENT neutrino scattering data on neutrino electromagnetic properties and electroweak physics
Authors: Atzori Corona M. , Cadeddu M. , Cargioli N. , Dordei F. , Giunti C. , Li Y. F. , Ternes C. A. , Zhang Y. Y. 
Published: September 2022

Abstract
Coherent elastic neutrino-nucleus scattering (CEνNS) represents a powerful tool to investigate key electroweak physics parameters and neutrino properties since its first observation in 2017 by the COHERENT experiment exploiting the spallation neutron source at Oak Ridge National Laboratory. In light of the recent detection of such a process with antineutrinos produced by the Dresden-II reactor scattering off a germanium detector, we revisit the limits so far set on the neutrino magnetic moments, charge radii and millicharges as well as on the weak mixing angle. In order to do so, we also include the contribution of elastic neutrino-electron scattering, whose effect becomes non negligible in some beyond the Standard Model theories. By using different hypotheses for the germanium quenching factor and the reactor antineutrino flux, we provide a measurement of the weak mixing angle at the low-energy scale of the Dresden-II reactor experiment and, thanks to a combined analysis with the latest cesium iodide and argon data set released by the COHERENT Collaboration, we deliver updated limits for the neutrino electromagnetic properties. Interestingly, we are able to set a new best upper limit on the electron neutrino charge radius and significantly improve the other CEνNS-related limits on the neutrino electric charge and magnetic moment.
Instabilität des Kniegelenks – medial oder anteromedial?
Authors: Abermann Elisabeth , Herbst E. , Herbort M. , Smigielski R. , Fink C. 
Published: September 2022

Zusammenfassung
Hintergrund
Verletzungen des medialen Bandkomplexes gehören zu den häufigsten Knieverletzungen. Sie heilen zwar meist mit konservativer Therapie problemlos aus, persistierende Instabilitäten erhöhen aber die Belastung der Kreuzbänder und benötigen speziell bei deren Beteiligung eine adäquate Therapie.

Anatomie und Biomechanik
Der mediale Seitenbandkomplex besteht im Wesentlichen aus dem oberflächlichen Seitenband (sMCL), welches der primäre Stabilisator gegen Valgus ist, dem tiefen Seitenband (dMCL) mit dessen schräg verlaufendem ventralem Anteil (AML), die nur sekundäre Stabilisatoren gegen Valgus darstellen, aber primär gegen Außenrotation stabilisieren, und dem hinteren Schrägband (POL), das in vollständiger Streckung gegen Valgus sowie gegen Innenrotation stabilisiert.

Therapie
Chronische Instabilitäten bzw. höhergradige Verletzungen mit Dislokation der Bandstümpfe oder multiligamentäre Verletzungen bedürfen einer operativen Versorgung. Im Akutstadium zeigen Avulsionsverletzungen bei anatomischer Refixation gutes Heilungspotenzial, während bei intraligamentären Verletzungen zusätzlich zur Naht der Bandanteile eine Augmentation mit Sehnenmaterial empfohlen wird. Bei chronischen Instabilitäten ist die Differenzierung des Instabilitätsmusters ausschlaggebend für die Wahl der Rekonstruktionstechnik (reine sMCL-Rekonstruktion oder kombinierte Rekonstruktion von sMCL und AML). In beiden Fällen kommt die hier beschriebene Technik mit flachem Transplantat der Anatomie näher als bei konventionellen Verfahren.

Diskussion
Rekonstruktionstechniken unter Verwendung flacher Sehnentransplantate, die alle betroffenen Bandanteile adressieren, haben sich biomechanisch als sehr effektiv erwiesen, komplexe mediale Instabilitäten suffizient zu behandeln. Ob diese auch klinisch überlegen sind, werden zukünftige klinische Studien zeigen müssen.
A new fluid-based strategy for the connection of non-matching lattice materials
Authors: Ferro Nicola , Perotto Simona , Gavazzoni Matteo 
Published: September 2022

AbstractWe present a new algorithm for the design of the connection region between different lattice materials. We solve a Stokes-type topology optimization problem on a narrow morphing region to smoothly connect two different unit cells. The proposed procedure turns out to be effective and provides a local re-design of the materials, leading to a very mild modification of the mechanical behavior characterizing the original lattices. The robustness of the algorithm is assessed in terms of sensitivity of the final layout to different parameters. Both the cases of Cartesian and non-Cartesian morphing regions are successfully investigated.
A portable electrochemiluminescence aptasensor for β-lactoglobulin detection
Authors: Svigelj Rossella , Zuliani Ivan , Dossi Nicolò , Toniolo Rosanna 
Published: September 2022

AbstractCow’s milk allergy is one of the most common food allergies in children with a prevalence of around 2.5%. Milk contains several allergens; the main ones are caseins and β-lactoglobulin (β-LG). At regulatory level, β-LG is not explicitly named, but milk is included in the list of substances or products causing allergies or intolerances. Hence, the presence of β-LG can be a useful marker for determining the presence of milk in food. In this work, we present an aptasensor based on electrochemiluminescence (ECL) for the quantification of β-LG in real food matrices displaying integrated advantages consisting of high specificity, good sensitivity, portability, and cost effectiveness. The performance and applicability of this sensor were tested by analyzing a sample of skimmed milk and an oat-based drink proposed as a vegetable substitute for milk of animal origin. We obtained a linear correlation between the intensity of the signal and the concentration of β-LG standard solutions (y = x * 0.00653 + 1.038, R2 = 0.99). The limit of detection (LOD) and the limit of quantification (LOQ) were found to be 1.36 and 4.55 μg L−1, respectively.
Graphical abstract