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Not yet defect-free: the current landscape for women in computational materials research

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npj Computational Materials 2023年第1期9卷 1342-1351页

作者： livia b.pártay Erin G.Teich Rose K.Cersonsky Department of Chemistry University of WarwickCoventry CV47ALUnited Kingdom Department of physics Wellesley College106 Central StreetWellesley 02481 MAUSA Department of Chemical and biological Engineering University of Wisconsin-Madison1415 Engineering DriveMadison 53706 WIUSA

INTRODUCTION“I really am not seeing how women are still considered disadvantaged in our field.”This phrase is heard all-too-often by woman scientists across many *** while attitudes on gender equity and parity have considerably improved in recent history,there are still measurable inequities stemming from systemic bias in the career progression,recognition,and perception of women in the sciences,including our sub-field of computational materials *** the obstacles to equity is in the interests of all of *** research inclusive is critical,not only from an ethical standpoint,but also for attracting and retaining dedicated and talented minds,enhancing the vibrancy of all fields,and nurturing a diverse range of ideas.

关键词： landscape attracting retaining

Machine-learned interatomic potentials for alloys and alloy phase diagrams

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npj Computational Materials 2021年第1期7卷 139-147页

作者： Conrad W.Rosenbrock Konstantin Gubaev Alexander VShapeev livia b.pártay Noam bernstein Gábor Csányi Gus L.W.Hart Department of physics and Astronomy Brigham Young UniversityProvoUTUSA84602 Skolkovo Institute of Science and Technology Skolkovo Innovation CenterNobel Str.3Moscow 143026Russia Department of Chemistry University of ReadingWhiteknightsReading RG66ADUK Department of Chemistry University of WarwickCoventry CV47ALUK US Naval Research Laboratory Center for Computational Materials ScienceWashingtonDC 20375USA Department of Engineering University of CambridgeTrumpington StreetCambridge CB21PZUK

We introduce machine-learned potentials for Ag-pd to describe the energy of alloy configurations over a wide range of *** compare two different *** tensor potentials(MTps)are polynomial-like functions of interatomic distances and *** Gaussian approximation potential(GAp)framework uses kernel regression,and we use the smooth overlap of atomic position(SOAp)representation of atomic neighborhoods that consist of a complete set of rotational and permutational invariants provided by the power spectrum of the spherical Fourier transform of the neighbor *** types of potentials give excellent accuracy for a wide range of compositions,competitive with the accuracy of cluster expansion,a benchmark for this *** both models are able to describe small deformations away from the lattice positions,SOAp-GAp excels at transferability as shown by sensible transformation paths between configurations,and MTp allows,due to its lower computational cost,the calculation of compositional phase *** the fact that both methods perform nearly as well as cluster expansion but yield off-lattice models,we expect them to open new avenues in computational materials modeling for alloys.

关键词： alloy alloys phase

Hereditary spastic paraplegia type 56:what a mouse can tell-a narrative review

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Journal of bio-X Research 2022年第2期5卷 55-63页

作者： livia parodi Claire pujol Sorbonne Université Paris Brain Institute(ICM Institut du Cerveau)INSERMCNRSAssistance Publique-Hôpitaux de Paris(AP-HP)Pitié-Salpêtrière University Hospital Institut pasteur UMR3691 CNRSUniversitéde Paris75015 ParisFrance

Hereditary spastic paraplegia type 56(SpG56-HSp)is a rare autosomal recessive disorder caused by loss of function mutations in CYp2U1,leading to an early-onset limbs spasticity,often complicated by additional neurological or extra-neurological *** its low prevalence,the molecular bases underlying SpG56-HSp are still poorly understood,and effective treatment options are still ***,through the generation and characterization of the SpG56-HSp mouse model,we were able to take few important steps forward in expanding our knowledge of the molecular background underlying this complex *** the Cyp2u1-/-mouse model we were able to identify several new diagnostics biomarkers(vitamin b2,coenzyme Q,neopterin,and interferon-alpha),as well as to highlight the key role played by the folate pathway in SpG56-HSp pathogenesis,providing a potential treatment *** this review,we discuss the major role played by the Cyp2u1-/-model in dissecting clinical and biological aspects of the disease,opening the way to a series of new research paths ranging from clinical trials,biomarker testing,and to the expansion of the underlying genetic and molecular,emphasizing how basic mouse model characterization could contribute to advance research in the context of rare disorders.

关键词： folate hereditary spastic paraplegia mitochondria mouse model neurological diseases

physical habitat condition as a key tool to maintain freshwater biodiversity in neotropical artificial ponds

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Water biology and Security 2023年第3期2卷 30-35页

作者： Marden S.Linares livia b.dos Santos Marcos Callisto Jean C.Santos Universidade Federal de Minas Gerais Instituto de Ciencias BiologicasDepartamento de GeneticaEcologia e EvoluçaoLaboratorio de Ecologia de BentosAv.Antonio Carlos 6627CEP 31270-901PampulhaBelo HorizonteMGBrazil Laboratorio de Macroecologia e Conservaçao da biodiversidade Departamento de Botanica e EcologiaUniversidade Federal do Mato GrossoAv.Fernando Correa da Costa2367Boa EsperançaCuiabaMato GrossoCEP 78060-900Brazil programa de pos-Graduaçao em Ciencias Ambientais Instituto de Ciencias NaturaisHumanas e SociaisUniversidade Federal do Mato GrossoAvenida Alexandre Ferronato1200SinopMTCEP 78550-728Brazil Universidade Federal de Sergipe Departamento de EcologiaCampus Sao Cristovao-Cidade Universitaria Prof.Jose Aloísio de CamposCEP 49100-000Sao CristovaoSergipeBrazil

In areas highly affected by anthropogenic disturbances,artificial(human-made)freshwater ecosystems can provide habitat for maintaining and conserving regional freshwater *** assessed how the physical habitat of artificial ponds affected the structure of benthic macroinvertebrate *** do so,we tested two hypotheses.(1)physical habitat disturbances are not detrimental to the diversity of nearby artificial ponds,and(2)physical habitat disturbances do not cause significant shifts in taxonomic *** results rejected both null hypotheses,i.e.,macroinvertebrate diversity metrics correlated significantly and positively with physical Habitat Integrity index scores,and only sites with high habitat condition scores were significantly associated with sensitive indicator *** results highlight the importance of maintaining physical habitat conditions for sustaining the ecological health of artificial ponds.

关键词： bioindicators Ecosystem management Lentic ecosystems

Ultrasound-based techniques for the diagnosis of liver steatosis

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World Journal of Gastroenterology 2019年第40期25卷 6053-6062页

作者： Giovanna Ferraioli livia beatriz Soares Monteiro Dipartimento di Scienze Clinico-Chirurgiche Diagnostiche e PediatricheMedical School University of PaviaPavia 27100Italy Clinical Sciences and Infectious Diseases Department Fondazione IRCCS Policlinico S.MatteoPavia 27100Italy Centro Universitário barao de Mauá Ramos de AzevedoSao Paulo 14090-180Brazil

Non-alcoholic fatty liver disease(NAFLD)is the leading cause of diffuse liver *** accurate estimate of the fat in the liver is important in the diagnostic work-up of patients with NAFLD because the degree of liver steatosis is linked to the metabolic syndrome and the cardiovascular ***(US)b-mode imaging allows to subjectively estimate the fatty infiltration in the liver;however,it has a low performance for the detection of mild *** US is based on the analysis of the radiofrequency echoes detected by an US system,and it allows to calculate a backscatter coefficient or an attenuation coefficient or the sound *** estimation of the backscatter coefficient is rather cumbersome and requires the use of a phantom for addressing all sources of *** attenuation parameter(CAp)available on the FibroScan system(Echosens,France)measures the attenuation of the US *** is accurate in grading fatty infiltration-even though there is an overlap between consecutive grade of liver steatosis-and the values are not influenced by liver *** US manufacturers are developing or have already developed software for quantifying the attenuation of the US *** results show that proprietary technologies implemented in US systems seem more accurate than CAp for grading liver *** available method for quantifying liver steatosis is based on the computation of the sound speed and the initial results appear promising.

关键词： Non-alcoholic fatty liver disease Chronic liver disease Ultrasound Controlled attenuation parameter Quantitative ultrasound Attenuation imaging

Obligatory parthenogenesis and TE load： bacillus stick insects and the R2 non-LTR retrotransposon

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Insect Science 2017年第3期24卷 409-417页

作者： livia bonandin Claudia Scavariello Valentina Mingazzini Andrea Luchetti barbara Mantovani Dipartimento di Scienze biologiche Geologiche e Ambientali Universit~ di Bologna Bologna Italy

Transposable elements （TEs） are selfish genetic elements whose self-replication is contrasted by the host genome. In this context, host reproductive strategies are predicted to impact on both TEs load and activity. The presence and insertion distribution of the non- LTR retrotransposon R2 was here studied in populations of the strictly bisexual bacillus grandii maretimi and of the obligatory parthenogenetic bacillus atticus atticus. Further- more, data were also obtained from the offspring of selected b. a. atticus females. At the population level, the gonochoric b. g. maretimi showed a significantly higher R2 load than the obligatory parthenogenetic b. a. atticus. The comparison with bisexual and unisexual bacillus rossius populations showed that their values were higher than those recorded for b. a. atticus and similar, or even higher, than those of b. g. maretimi. Consistently, an R2 load reduction is scored in b. a. atticus offspring even if with a great variance. On the whole, data here produced indicate that in the obligatory unisexual b. a. atticus R2 is active and that mechanisms of molecular turnover are effective. Furthermore, progeny analyses show that, at variance of the facultative parthenogenetic b. rossius, the R2 activ- ity is held at a lower rate. Modeling parental-offspring inheritance, suggests that in b. a. atticus recombination plays a major role in eliminating insertions rather than selection, as previously suggested for unisexual b. rossius progeny, even if in both cases a high variance is observed. In addition to this, mechanisms of R2 silencing or chances of clonal selection cannot be ruled out.

关键词： insertion activity Muller's ratchet phasmida recombination retrotranspo-son unisexuality

Expression of anti-Mullerian hormone receptor on the appendix testis in connection with urological disorders

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Asian Journal of Andrology 2013年第3期15卷 400-403页

作者： Kornel Kistamas Olga Ruzsnavszky Andrea Telek livia Kosztka Ilona Kovacs beatrix Dienes Laszlo Csernoch Tamas Jozsa Department of physiology Medical and Health Science Center University of Debrecen Debrecen 4032 Hungary Department of pathology Kenezy Gyula Hospital Debrecen 4032 Hungary Department of pediatrics Medical and Health Science Center University of Debrecen Debrecen 4032 Hungary Department of pediatric Surgery Division of Urology Astrid Lindgren Children's Hospital Karolinska University Hospital Stockholm SE-171 76 Sweden

The female internal sex organs develop from the paramesonephric （Mullerian） duct. In male embryos, the regression of the Mullerian duct is caused by the anti-Mullerian hormone （AMH）, which plays an important role in the process of testicular descent. The physiological remnant of the Mullerian duct in males is the appendix testis （AT）. In our previous study, we presented evidence for the decreased incidence of AT in cryptorchidism with intraoperative surgery. In this report, the expression of the anti-Mullerian hormone receptor type 2 （AMHR2）, the specific receptor of AMH, on the AT was investigated in connection with different urological disorders, such as hernia inguinalis, torsion of AT, cysta epididymis, varicocele, hydrocele testis and various forms of undescended testis. The correlation between the age of the patients and the expression of the AMHR2 was also examined. Reverse transcriptase-polymerase chain reaction （RT-pCR） and immunohistochemistry were used to detect the receptor＇s mRNA and protein levels, respectively. We demonstrate that AMHR2 is expressed in the ATs. Additionally, the presence of this receptor was proven at the mRNA and protein levels. The expression pattern of the receptor correlated with neither the examined urological disorders nor the age of the patients; therefore, the function of the AT remains obscure.

关键词： anti-Mullerian hormone receptor (AMHR) appendixtestis (AT) hernia inguinal is retention testis testicular descent testisretractile

Ferric carboxymaltose for anemia in Crohn’s disease patients at a tertiary center:A retrospective observational cohort study

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World Journal of Clinical Cases 2023年第12期11卷 2740-2752页

作者： Natália Souza Nunes Siqueira livia bitencourt pascoal bruno Lima Rodrigues Marina Moreira de Castro Alan Sidnei Corrêa Martins Dante Orsetti Silva Araújo Luis Eduardo Miani Gomes Michel Gardere Camargo Maria de Lourdes Setsuko Ayrizono Raquel Franco Leal Inflammatory bowel Disease Research Laboratory GastrocenterColorectal Surgery UnitSchool of Medical SciencesUniversity of Campinas(Unicamp)Campinas 13083-878São PauloBrazil

bACKGROUND Although the gastrointestinal tract is the most affected by Crohn’s disease(CD),the condition triggers other consequent manifestations,and iron deficiency anemia(IDA)is one of the most ***(IV)iron replacement is currently available through several drugs,such as ferric hydroxide sucrose and ferric carboxymaltose(FCM).However,the clinical management of these conditions can be *** To elucidate the drug’s effectiveness,the present study analyzed,through medical records,the clinical and epidemiological data of a cohort of patients with active CD who received IV FCM for the IDA *** This retrospective observational study included 25 patients with active CD,severe anemia,and refractory to previous conventional *** were evaluated two times:During the last treatment with ferric hydroxide sucrose and treatment with *** After treatment with FCM,parameters of IDA assessment significantly improved,serum hemoglobin(Hb)levels increased in 93%of patients(ppatients showed an increase in serum iron(pp=0.0008)and 50%in transferrin saturation(p=0.01).The serum iron levels at baseline showed a negative association with the ileal and colonic CD and use of biologics and a positive association with patients who developed CD later in life after the age of 40(A3)and with a stenosing(b2)and fistulizing(b3)*** values of Hb and hematocrit after ferric hydroxide sucrose treatment remained similar to those found before *** This study demonstrated that FCM is an important therapeutic strategy for treating IDA in CD patients,achieving satisfactory results in refractory cases.

关键词： Ferric carboxymaltose Iron deficiency anemia Crohn’s disease Inflammatory bowel disease Anemia Clinical management

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5种地西泮类衍生物抗血吸虫的初步评价

中国人兽共患病学报 2009年第6期25卷 563-566页

作者：李欣蔡茹张惠琴龚唯骆伟 pica-Mattoccia livia Donato Cioli 夏超明苏州大学医学部病原生物学系苏州215123 意大利罗马国家科学院细胞生物研究所意大利00016

目的评价5种地西泮类衍生物b3、b7、b8、b26、b30抗血吸虫效应并探讨其作用机制。方法取雄性日本血吸虫和曼氏血吸虫成虫(10条/皿)培养于DMEM培养液中,分别加入5种地西泮衍生物b3、b7、b8、b26、b30,工作浓度均为50 mol/mL,培养16h,在... 详细信息

目的评价5种地西泮类衍生物b3、b7、b8、b26、b30抗血吸虫效应并探讨其作用机制。方法取雄性日本血吸虫和曼氏血吸虫成虫(10条/皿)培养于DMEM培养液中,分别加入5种地西泮衍生物b3、b7、b8、b26、b30,工作浓度均为50 mol/mL,培养16h,在体视显微镜下观察药物洗涤后24h～72h的虫体存活状态,计算其存活率及活力降低率。以细胞肌松素D和钙通道阻滞剂预处理虫体1h后再加b3和b30共同培养16h,观察拮抗效应。结果在b3实验组中,日本血吸虫存活率和活力降低率为0%和100%,曼氏血吸虫为20%和93.3%,b30实验组中,日本血吸虫和曼氏血吸虫的存活率分别为0%和13%;两者的活力降低率则分别为100%和94.3%。b7、b8、b26实验组抗日本血吸虫效应不明显,但对曼氏血吸虫的作用略好于日本血吸虫。细胞肌松素D可显著拮抗b3、b30的抗日本血吸虫效应,拮抗后b3实验组虫体存活率和活力降低率分别为80%和59%～63%、b30实验组为70%和46%～55%,钙通道阻滞剂尼非地平、尼群地平拮抗b3、b30后虫体存活率为10%～40%,活力降低率为85%～96%。结论地西泮衍生物b3、b30在体外具有显著抗血吸虫效应(pb3、b30具有显著的拮抗作用;钙通道阻滞剂尼非地平、尼群地平也有一定的拮抗效应,提示地西泮衍生物的抗血吸虫效应也可能与钙通道有关。

关键词：地西泮衍生物抗血吸虫生物学效应