bluuebunny/crossref_metadata_2025_split huggingface dataset:
The crystal structures of the potassium hydrogen monofluorophosphates, KHPO3F and K3[H(PO3F)2], and the α modification of RbHPO3F
Authors: Prescott Hillary A. , Troyanov Sergej I. , Kemnitz Erhard 
Published: December 2003

Abstract
Three new hydrogen monofluorophosphates, KHPO3F (I), K3[H(PO3F)2] (II), and α-RbHPO3F (III), were crystallographically characterized with single crystal X-ray analysis at 180 K. The compound I is monoclinic, space group P21 with a = 7.273(1), b = 14.086(3), c = 7.655(2) Å, β = 90.13(3), Z = 8, and R
1 and wR
2 factors of 0.0214 and 0.0395, respectively. II crystallizes in the monoclinic space group C2/c with a = 7.973(3), b = 11.635(4), c = 9.688(4) Å, β = 113.52(4), Z = 4, and R
1 and wR
2 factors of 0.0581 and 0.1615, respectively. III is monoclinic with the P21/n space group, a = 7.465(2), b = 15.551(8), c = 7.563(4) Å, β = 105.38(5), Z = 8, and R
1 and wR
2 factors of 0.0365 and 0.0694, respectively. I and III include O–H···O hydrogen bonding between the HPO3F tetrahedra to form branched spiral chains (I) or tetramers (III), respectively. In the structure of II, dimeric units are formed by a symmetrically disordered hydrogen bond between the PO3F tetrahedra. Both O and F atoms participate in cation coordination in all three structures, whereas only O atoms are involved in hydrogen bonding.
Electron crystallography of zeolites. 3. Calcined MCM-22 and MCM-49, a case of subtle differences
Authors: Dorset Douglas L. 
Published: December 2003

Abstract
Single crystal electron diffraction intensity data, analyzed by direct methods for determining crystallographic phases, have been employed to seek differences between the crystal structures of calcined MCM-22 and MCM-49. A direct comparison of hk0 intensity data indicates such a difference and this is justified further when the respective structural models are refined. The MCM-22 data agree well with the ITQ-1 Si-framework model, but without adding the extraneous interstitial atoms imposed in an earlier powder X-ray diffraction determination. The T-sites in MCM-49 are placed similarly to the ones in MCM-22 but Fourier refinement indicates the presence of an oxygen site not seen for MCM-22. Also one of the oxygen positions found in MCM-22 is not observed in the MCM-49 potential maps.
Crystal structures, order-disorder transition and twinning of the Jahn-Teller system (NO)2VCl6
Authors: Henke Henning 
Published: December 2003

Abstract
As in the case of (NO)2TiCl6 the octahedral-shaped crystals of dinitrosonium hexachlorovanadate(IV) are tetragonal at room temperature with space group P4/mnc and Z = 2. An X-ray structure determination at 248 K yields lattice parameters of a = 667.8(1) and c = 1023.8(1) pm, V–Cl distances for the ‘octahedral’ VCl6
2- ion of slightly different length [2 × 233.2(1), 4 × 229.4(1) pm], and a fourfold orientational disorder for the species NO+. The phase change at T
c = 236.5 ± 0.2 K is very sharp and clearly 1st order leading to a monoclinic unit cell with a = 657.1(3), b = 662.6(2), c = 1027.5(2) pm, and β = 91.82(1)° at T = 156 K in space group P21/n with Z = 2. As expected for vanadium in the oxidation state +4 the paramagnetism of the black compound measured above and below T
c confirms the spin-only value for a d1 system. The compressive distortion of the VCl6
2- units to approximate D
4h symmetry [2 × 234.3(1), 2 × 233.7(1), 2 × 224.1(1) pm at 156 K] favours the ordering process of the NO+ cations and vice versa. For the ordered NO+ the atomic distance is 107.0(3) pm. Repetition of the structure analysis at 231 K demonstrates that the static manifestation of the Jahn-Teller effect is coupled to the tilt of the VCl6
2- groups. In accordance with the symmetry reduction in formally two steps of type t2, the formation of quadruplet domains is observed, usually arranged around [001] as the common axis giving a fourfold rotation twin with c
tetr parallel c
mon and a
mon slightly inclined against the tetragonal a–b plane. If the crystal is clamped along c the twin law changes to the corresponding reflection twin (001).
Structural and physical properties of bis(guanidinium) X bis(nitrilotriacetate) hydrate, (C[NH2]3)2X(N[CH2COO]3)2·H2O (X = Zr, Sn, Hf) and bis(methylammonium) X bis(nitrilotriacetate dihydrate, (CH3NH3)2X(N[CH2COO]3)2·2 H2O (X = Sn, Zr)
Authors: Haussühl E. , Haussühl S. , Tillmanns E. 
Published: December 2003

Abstract
Single crystals of bis(guanidinium) tin bis(nitrilotriacetate) hydrate (GuSN) and bis(methylammonium) tin bis(nitrilotriacetate) dihydrate (MetamSN) having optical quality and dimensions up to 15 × 15 × 20 mm were grown from aqueous solutions. The isotypy with the corresponding zirconium and hafnium compounds (GuZN, GuHN, and MetamZN, respectively)) was proved by X-ray structure analyses (GuSN: space group Ccc21, a
1 = 11.338 Å, a
2 = 20.285 Å, a
3 = 10.178 Å, Z = 4, density 1.796 g cm-3; MetamSN: space group P212121, a
1 = 9.851 Å, a
2 = 14.164 Å, a
3 = 15.548 Å, Z = 4, density 1.821 g cm-3). Distinct differences in the dimensions of the tin bis(nitrilotriacetate) and zirconium bis(nitrilotriacetate) anions could be derived from structural features. The molecular volume of the latter is about 6 Å3 larger than that of the tin complex. Along one direction perpendicular to the twofold or quasi-twofold axis the diameter of the tin complex is about 0.18 Å shorter. Thermal expansion, dielectric, piezoelectric, elastic, thermoelastic and piezo elastic properties of corresponding tin, zirconium and hafnium compounds are quite similar. The small differences in the dimensions of the anions, however, are clearly reflected in the elastic longitudinal stiffnesses. The earlier described phase transitions in GuZN exist also in GuSN as confirmed by X-ray analysis at 100 K. The temperature of the transition region II is shifted to lower temperatures by about 4 and 6 K, if Zr is substituted by Sn and Hf, respectively. All anomalous phenomena observed during the transition in GuZN and GuHN are also found in GuSN.
Dichloro[(E)-2-chloro-1-vinyl-cyclohexanol](4-methoxy phenyl)Te(IV). A case of conformational polymorphism
Authors: Teijido Maurício Vega , Zukerman-Schpector Julio , Camillo Robinson Luis , Caracelli Ignez , Stefani Hélio Alexandre , Chieffi André , Comasseto João Valdir 
Published: December 2003

Abstract
C15Cl3H19O2Te, Mr
= 465.25, (1), P21/a, a = 9.8303(9), b = 17.492(2), c = 10.911(1) Å, β = 108.521(8)°, Z = 4, R
1 = 0.0274. (2), P21/c, a = 8.2661(9), b = 22.863(2), c = 9.828(1) Å, β = 108.894(8)°, Z = 4, R
1 = 0.0379. In both compounds, the primary geometry of the TeIV atom is a pseudo-trigonal-bipyramidal arrangement with two halide atoms in apical positions and a lone pair of electrons and C atoms in the equatorial plane. In (1), the TeIV atom is involved in an intermolecular secondary interaction resulting in the self-assembly of a chain-like supramolecular array. In (2), molecules are linked in centrosymmetric dimers through Cl···H–O interactions.
Plane groups – from basic to advanced crystallographic concepts
Authors: Stróż K. 
Published: December 2003

Abstract
The plane groups are rarely discussed in the crystallography courses and the didactic role of the plane groups for teaching symmetry is rather underestimated. Most crystallographic concepts known from 3-dimensional space group descriptions concern also these 2-dimensional groups and can be easier illustrated. Symmetry of atomic layers as well as symmetry of mosaics, lattice designs, symmetry of electron diffraction patterns or any pattern with two-dimensional periodicity can be characterised on a unique basis. Such a pattern can be generated by decorating the points of a crystallographic orbit by different graphical objects. The orbits are visualised as “crystallographic mosaics” (by connection of the closest points of the orbit), they can be characterised by Shubnikov or Laves nets and there always exists a number (circle packing density) that is related to a given orbit. The paper and a didactic computer program presented in it give some ideas and framework for the plane symmetry experiments: from finding the isometries on the generated patterns to identifying the non-characteristic orbits. It is also shown that the contour map of a circle packing density is a good frame for locating symmetry elements, asymmetric units or points with higher plane symmetry into a unit cell. The applied complex approach to the orbit characterisation will narrow the gap existing between concepts used by practising and theoretical crystallographers and mathematicians interested in tessellations.
Approach to a social stranger is associated with low central nervous system serotonergic responsivity in female cynomolgus monkeys (Macaca fascicularis)
Authors: Manuck Stephen B. , Kaplan Jay R. , Rymeski Beth A. , Fairbanks Lynn A. , Wilson Mark E. 
Published: December 2003

AbstractIt is widely hypothesized that individual differences in central nervous system (CNS) serotonergic activity underlie dimensional variation in “impulsive” vs. “inhibited” social behavior in both humans and nonhuman primates. To assess relative impulsivity in a social context, a behavioral challenge involving animals' exposure to a social stranger (termed the “Intruder Challenge”) was recently validated in adolescent and adult male vervet monkeys (Cercopithecus aethiops sabaeus). Among these animals, monkeys that quickly approached the intruder were found to have lower cerebrospinal fluid (CSF) concentrations of the serotonin (5‐HT) metabolite, 5‐hydroxyindoleacetic acid, than less impulsive animals. In the present study we extended these observations to determine whether approach to a social stranger, as operationalized by the Intruder Challenge, is similarly associated with diminished CNS serotonergic function in female cynomolgus monkeys (Macaca fascicularis). Study animals were 25 adult monkeys that had been housed for 2 years in stable social groups. In each animal, the rise in plasma prolactin concentration induced by acute administration of the 5‐HT agonist, fenfluramine, was used to assess “net” central serotonergic responsivity. When exposed later to an unfamiliar female of the same species in a catch‐cage placed for 20 min within the subjects' home enclosure, monkeys that approached to within 1 m of the intruder (median latency to approach=3 min) were found to have significantly smaller prolactin responses to fenfluramine (diminished serotonergic responsivity) compared to “inhibited” animals that failed to approach the intruder (t=2.9, df=23, P<0.009; rpb=–0.51). Neither approach behavior nor the animals' fenfluramine‐induced prolactin responses covaried significantly with nondirected expressions of arousal (or anxiety) or with aggressive behaviors exhibited during testing. We conclude that in female cynomolgus monkeys, social impulsivity (vs. inhibition) correlates inversely with individual differences in CNS serotonergic activity, as assessed by neuroendocrine challenge. Am. J. Primatol. 61:187–194, 2003. © 2003 Wiley‐Liss, Inc.
Systematics and evolution of the jacchus group of marmosets (Platyrrhini)
Authors: Marroig Gabriel , Cropp Susan , Cheverud James M. 
Published: December 2003

AbstractInterspecific differentiation and geographic variation patterns in 39 skull traits of eastern Brazilian marmosets are analyzed. EasternCallithrixtaxa are distinct morphologically, and no evidence of intergradation among taxa is observed. Instead, there are sharp, stepped morphological boundaries among taxa, consistent with species‐level distinction. The morphological similarity cluster diagram obtained from Mahalanobis distances is different from available molecular trees, and the general picture emerging is that the easternCallithrixtaxa should be considered as good species arising recently in South American history. In particular,C. kuhliiis morphologically distinct from other marmoset taxa, includingC. geoffroyiandC. penicillata, which were previously hypothesized to be the parental populations that formedC. kuhliiby hybridization. Furthermore,C. kuhliipopulations from southeastern Bahia do not overlap morphologically with anyC. penicillatapopulation, including the upper São Francisco River populations that display skin colors and pelage patterns to some extent similar to true Kuhli's marmosets. There is a negative, though insignificant, correlation between the morphological distance matrix and a Mahalanobis distance matrix estimated from nine climatic variables, a pattern opposite to that expected under a parapatric speciation model. This result, together with the lack of clinal variation in skull traits, suggests that an allopatric model of speciation might best explain eastern marmoset diversification. Am J Phys Anthropol 2003. © 2002 Wiley‐Liss, Inc.
Patterns of phenotypic covariation and correlation in modern humans as viewed from morphological integration
Authors: González‐José Rolando , Van Der Molen Silvina , González‐Pérez Emili , Hernández Miquel 
Published: December 2003

AbstractProportionality of phenotypic and genetic distance is of crucial importance to adequately focus on population history and structure, and it depends on the proportionality of genetic and phenotypic covariance. Constancy of phenotypic covariances is unlikely without constancy of genetic covariation if the latter is a substantial component of the former. If phenotypic patterns are found to be relatively stable, the most probable explanation is that genetic covariance matrices are also stable. Factors like morphological integration account for such stability. Morphological integration can be studied by analyzing the relationships among morphological traits. We present here a comparison of phenotypic correlation and covariance structure among worldwide human populations. Correlation and covariance matrices between 47 cranial traits were obtained for 28 populations, and compared with design matrices representing functional and developmental constraints. Among‐population differences in patterns of correlation and covariation were tested for association with matrices of genetic distances (obtained after an examination of 10 Alu‐insertions) and with Mahalanobis distances (computed after craniometrical traits). All matrix correlations were estimated by means of Mantel tests. Results indicate that correlation and covariance structure in our species is stable, and that among‐group correlation/covariance similarity is not related to genetic or phenotypic distance. Conversely, genetic and morphological distance matrices were highly correlated. Correlation and covariation patterns were largely associated with functional and developmental factors, which probably account for the stability of covariance patterns. Am J Phys Anthropol, 2003. © 2003 Wiley‐Liss, Inc.
Hominid cranial remains from upper pleistocene deposits at Aduma, Middle Awash, Ethiopia
Authors: Haile‐Selassie Y. , Asfaw B. , White T.D. 
Published: December 2003

AbstractThe Upper Pleistocene localities of Aduma and Bouri have yielded hominid fossils and extensive Middle Stone Age (MSA) archaeological assemblages. The vertebrate fossils recovered include parts of four hominid crania from Aduma and a complete right parietal from Bouri. Archaeological associations and radiometric techniques suggest an Upper Pleistocene age for these hominids. The more complete cranium from Aduma (ADU‐VP‐1/3) comprises most of the parietals, the occipital, and part of the frontal. This cranium is compared to late Middle and Upper Pleistocene hominid crania from Africa and the Middle East. The Aduma cranium shows a mosaic of cranial features shared with “premodern” and anatomically modern Homo sapiens. However, the posterior and lateral cranial dimensions, and most of its anatomy, are centered among modern humans and resemble specimens from Omo, Skhul, and Qafzeh. As a result, the Aduma and Bouri Upper Pleistocene hominids are assigned to anatomically modern Homo sapiens. Am J Phys Anthropol, 2003. © 2003 Wiley‐Liss, Inc.
Beyond ‘anti‐smacking’: challenging parental violence and coercion
Authors: Phillips Ben , Alderson Priscilla 
Published: December 2003

AbstractThe anti‐smacking lobby concentrates on persuading parents not to smack and persuading the government to prohibit smacking by law. There is much evidence that smacking children is unnecessary and dangerous, and yet smacking continues to be widely practised and accepted in Britain. Our literature review found two underlying reasons for this contradiction: beliefs that children are ‘human becomings’ rather than full human beings and support for ‘parents’ rights' over children's human rights. We suggest that the anti‐smacking lobby's important work will have limited effect until it tackles these two issues, and make comparisons with debates on domestic violence against women to illustrate our argument. Copyright © 2003 John Wiley & Sons, Ltd.
Critical assessment of information extraction systems in biology
Authors: Blaschke Christian , Hirschman Lynette , Yeh Alexander , Valencia Alfonso 
Published: December 2003

AbstractAn increasing number of groups are now working in the area of text mining, focusing on a wide range of problems and applying both statistical and linguistic approaches. However, it is not possible to compare the different approaches, because there are no common standards or evaluation criteria; in addition, the various groups are addressing different problems, often using private datasets. As a result, it is impossible to determine how well the existing systems perform, and particularly what performance level can be expected in real applications. This is similar to the situation in text processing in the late 1980s, prior to the Message Understanding Conferences (MUCs). With the introduction of a common evaluation and standardized evaluation metrics as part of these conferences, it became possible to compare approaches, to identify those techniques that did or did not work and to make progress. This progress has resulted in a common pipeline of processes and a set of shared tools available to the general research community. The field of biology is ripe for a similar experiment. Inspired by this example, the BioLINK group (Biological Literature, Information and Knowledge) is organizing a CASP‐like evaluation for the text data‐mining community applied to biology. The two main tasks specifically address two major bottlenecks for text mining in biology: (1) the correct detection of gene and protein names in text; and (2) the extraction of functional information related to proteins based on the GO classification system. For further information and participation details, see http://www.pdg.cnb.uam.es/BioLink/BioCreative.eval.html. Copyright © 2003 John Wiley & Sons, Ltd.
Superficial radiotherapy for patients with basal cell carcinoma
Authors: Zagrodnik Beate , Kempf Werner , Seifert Burkhardt , Müller Beatrix , Burg Günter , Urosevic Mirjana , Dummer Reinhard 
Published: December 2003

AbstractBACKGROUNDThe histologic subtype of a basal cell carcinoma (BCC) may be an important factor for the success of a certain treatment modality. In the current article, the authors report recurrence rates among patients with BCC after superficial radiotherapy as well as Bcl‐2 and p53 expression levels stratified by BCC subtype.METHODSThe authors performed a retrospective study of 175 BCCs in 148 patients (64 female patients and 84 male patients; mean age, 69 years) who were treated with radiotherapy. According to their histologic patterns, BCCs were classified as nodular (n = 103), superficial (n = 25), and sclerosing (n = 47). In addition, six patients with metatypic BCC were reviewed. Bcl‐2 and p53 protein expression was examined on a tissue microarray of 60 BCC samples (18 nodular tumors, 12 superficial tumors, and 30 sclerosing tumors).RESULTSThe estimated 5‐year recurrence rate for all patients with BCC was 15.8%: 8.2% for patients with the nodular subtype, 26.1% for patients with the superficial subtype, and 27.7% for patients with the sclerosing subtype (Kaplan–Meier analysis: P = 0.055). The median follow‐up was 48 months. The mean time to recurrence was 20 months, and 86.4% of all recurrences occurred within 3 years after treatment. No gender‐specific differences were observed. In addition, one of six metatypic BCCs recurred. Nuclear p53 immunoreactivity and low Bcl‐2 expression were significantly correlated with the sclerosing subtype. Overall, 61.5% of patients developed additional neoplasms during follow‐up (76 developed additional BCCs, 15 developed squamous cell carcinomas, and 6 developed Bowen disease).CONCLUSIONSThe sclerosing subtype of BCC was a risk factor for recurrence after radiotherapy. In contrast, excellent results were achieved for patients with predominant nodular subtype. Nevertheless, radiotherapy may be the therapy of choice for patients with all BCC subtypes, depending on the individual patient's characteristics. Expression analyses confirmed that p53 and Bcl‐2 levels may be used as indicators for the aggressiveness of a BCC subtype. Due to the high incidence of additional skin malignancies, patients with BCC need careful follow‐up. Cancer 2003;98:2708–14. © 2003 American Cancer Society.
Free interferon‐α/β receptors in the circulation of patients with adenocarcinoma
Authors: Ambrus Julian L. , Dembinski Wlodzimierz , Ambrus Julian L. , Sykes Donald E. , Akhter Selina , Kulaylat Mahmoud N. , Islam Abul , Chadha Kailash C. 
Published: December 2003

AbstractBACKGROUNDMany viral and neoplastic diseases are resistant to interferon‐α/β (IFN‐α/β) therapy or develop resistance during the course of IFN treatment. In patients with viral diseases, the authors identified four IFN inhibitors, of which the most important, most likely is a free IFN receptor of type 1 appearing in the circulation that captures and neutralizes IFN‐α/β.METHODSNinety‐one cancer patients and 25 healthy individuals were studied. Free circulating IFN receptor‐α/β type 1 was studied. The patients were ages 35–75 years. The diagnoses were 24 cases of colon carcinoma, 7 cases of prostate carcinoma, 16 cases of breast carcinoma, 8 cases of ovarian carcinoma, 9 cases of uterine carcinoma, 5 cases of lung carcinoma, 3 cases of astrocytoma, 4 cases of transitional cell carcinoma of the bladder, 1 case of osteosarcoma, 3 cases of multiple myeloma, 4 cases of Hodgkin disease, 2 cases of non‐Hodgkin lymphoma, 3 cases of myelodysplastic syndrome, and 2 disseminated tumors of unknown origin.RESULTSAll patients were found to have increased free IFN receptor‐α/β type 1 in the circulation, with the highest levels reported in patients with adenocarcinoma.CONCLUSIONSHigh IFN inhibitory activity in patients with cancer may be a significant factor in their increased susceptibility to progressive disease, infectious complications, and resistance to IFN therapy. Ongoing studies are being performed with the objective of overcoming this inhibitory activity. Cancer 2003;98:2730–3. © 2003 American Cancer Society.